SCHEMBL632028

SCHEMBL632028

CC(C)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.73
ALDH1A1 P00352 4/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
TSHR P16473 2/20 0.68
ALOX12 P18054 2/20 0.68
HSD17B10 Q99714 2/20 0.68
LMNA P02545 2/20 0.68
THRB P10828 1/20 0.68
RECQL P46063 1/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TAAR1 Q96RJ0 1/20 0.48
KCNH3 Q9ULD8 2/20 0.44
LTB4R Q15722 1/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21448661 0.93 TDP1 (0.85) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL66892 0.85 TDP1 (1.00) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL8510715 0.82 TDP1 (0.55) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL23319717 0.82 TDP1 (0.94) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL28043814 0.82 TDP1 (0.94) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL28043559 0.82 TDP1 (0.94) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL7407338 0.82 TDP1 (0.94) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL15212378 0.82 TDP1 (0.94) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL21710835 0.82 MMP8 (0.48) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL22369602 0.82 MMP8 (0.48) TDP1ALDH1A1CYP3A4ALOX15TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 US disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20220173325-A1 LIGHT EMITTING DIODE AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-02 US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-02-19 US disclosed
WO-2018136555-A2 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-26 WO disclosed
US-20180071252-A1 METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-15 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD TDP1 2281/4885ALDH1A1 2503/4885CYP3A4 795/4885
US-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA TDP1 3161/4885ALDH1A1 2216/4885CYP3A4 3638/4885
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 TDP1 3216/4885ALDH1A1 1808/4885CYP3A4 3142/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 TDP1 1332/4885ALDH1A1 622/4885CYP3A4 152/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 TDP1 1536/4885ALDH1A1 1204/4885CYP3A4 294/4885
US-20180071252-A1 METHODS OF TREATING AUTOIMMUNE AND/OR GLOMERULONEPHRITIS-ASSOCIATED DISEASES USING SHP2 INHIBITORS PTPRJ, PTPRCAP, PTPRC TDP1 1867/4885ALDH1A1 4735/4885CYP3A4 4879/4885
US-10208035-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase CCR8, CDK8, CHD8 TDP1 2154/4885ALDH1A1 2902/4885CYP3A4 836/4885
US-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A TDP1 4559/4885ALDH1A1 3256/4885CYP3A4 2670/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R TDP1 1506/4885ALDH1A1 631/4885CYP3A4 22/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 TDP1 3216/4885ALDH1A1 1808/4885CYP3A4 3142/4885
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 TDP1 1290/4885ALDH1A1 3712/4885CYP3A4 1556/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA TDP1 3161/4885ALDH1A1 2216/4885CYP3A4 3638/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 TDP1 3216/4885ALDH1A1 1808/4885CYP3A4 3142/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA TDP1 4583/4885ALDH1A1 1055/4885CYP3A4 1682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.