SCHEMBL18660928

SCHEMBL18660928

C=C(CCCC)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
CA1 P00915 1/20 0.35
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
FAAH O00519 1/20 0.31
AKR1B1 P15121 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL25125961 0.90 TSHR (0.46) ALDH1A1CES1CES2TSHRTDP1
SCHEMBL20976362 0.90 TSHR (0.46) ALDH1A1CES1CES2TSHRTDP1
SCHEMBL21901860 0.90 TSHR (0.46) ALDH1A1CES1CES2TSHRTDP1
SCHEMBL22592234 0.79 ALDH1A1 (0.39) ALDH1A1TP53CES1CES2CA1
SCHEMBL4819387 0.78
SCHEMBL29169348 0.76 ALDH1A1 (0.40) ALDH1A1TP53CES1CES2CA1
SCHEMBL18312535 0.76 FAAH (0.44) ALDH1A1TP53CES1CES2FAAH
SCHEMBL20716155 0.76 CYP1A2 (0.36) TSHRLMNATHRB
SCHEMBL31347404 0.74 ALDH1A1 (0.39) ALDH1A1TP53CES1CES2CA1
SCHEMBL11612267 0.74 FDPS (0.41) ALDH1A1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371420-A Naphthyridones derivative and preparation method thereof 上海翰森生物医药科技有限公司 2025-01-28 CN disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20220119390-A1 TRICYCLIC COMPOUNDS JACOBIO PHARMACEUTICALS CO LTD (CN) 2022-04-21 US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 US disclosed
WO-2021048469-A1 POLYMER AND COMPOSITION FROM RENEWABLE SOURCE ÅBO AKADEMI UNIVERSITY (FI) 2021-03-18 WO disclosed
US-10772971-B2 Methods of producing drug-carrying polymer scaffolds and protein-polymer-drug conjugates Mersana Therpeutics, Inc. (US) 2020-09-15 US disclosed
US-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-20190300477-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-10-03 US disclosed
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 US disclosed
US-20170081425-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2017-03-23 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 (8 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C ALDH1A1 3847/4885TP53 4276/4885CES1 3633/4885
US-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1067/4885TP53 2529/4885CES1 2721/4885
US-10772971-B2 Methods of producing drug-carrying polymer scaffolds and protein-polymer-drug conjugates PBRM1, BRAP, STAMBP ALDH1A1 2851/4885TP53 722/4885CES1 3100/4885
US-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 ALDH1A1 189/4885TP53 4517/4885CES1 353/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 ALDH1A1 1492/4885TP53 15/4885CES1 4153/4885
US-20190300477-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1067/4885TP53 2529/4885CES1 2721/4885
US-20170081425-A1 PEPTIDE CONTAINING CONJUGATES FOR DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AGBL2, LNPEP, DCLRE1B ALDH1A1 3834/4885TP53 868/4885CES1 1303/4885
US-20220119390-A1 TRICYCLIC COMPOUNDS BRD4, BET1, BRD3 ALDH1A1 3589/4885TP53 293/4885CES1 565/4885

“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.