SCHEMBL1105472

SCHEMBL1105472

COc1ccc(-c2ccc(C)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.76
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C8 P10632 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP4B1 P13584 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50
▸ CYP3A5 P20815 1/20 0.50

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
SCHEMBL14253112 0.89 APP (0.63) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1181273 0.87 APP (1.00) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13446070 0.85 APP (0.95) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL14705443 0.85 APP (0.95) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9927249 0.84 APP (0.48) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL12973226 0.83 APP (0.83) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL14705615 0.83 APP (0.91) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL10300218 0.82 APP (0.46) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13424304 0.82 APP (0.46) APPKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL147295 0.81 HDAC6 (0.56) APPSMN1; SMN2MAPTCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — US disclosed
WO-2022006439-A2 COMPOUND EMBODIMENTS FOR TREATING RETINAL DEGENERATION AND METHOD EMBODIMENTS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 — — WO disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 — — EP disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 — — US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 — — US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 — — EP disclosed
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase METHYLGENE, INC. (CA) 2007-12-20 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-7259172-B2 phenyl or thien-2-yl substituted amide methyl phosphonate or phosphonyl halide derivatives; do not require a beta -lactam pharmacophore; bactericides; antibiotic resistance METHYLGENE INC. (CA) 2007-08-21 — — US disclosed
US-20070146835-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-06-28 — — US disclosed
EP-1398027-B1 Use of matrix metalloproteinase inhibitors for treating or preventing glomerulopathy SHIONOGI & CO (JP) 2007-01-10 — — EP disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 — — EP disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 — — EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 — — 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 (6 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 APP 4466/4885KDM4E 44/4885ALDH1A1 4211/4885
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS APP 4303/4885KDM4E 4327/4885ALDH1A1 782/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C APP 252/4885KDM4E 3316/4885ALDH1A1 145/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 APP 1891/4885KDM4E 1647/4885ALDH1A1 2824/4885
US-20070293675-A1 Novel Inhibitors Of Beta-Lactamase MGAM, LSS, CYP51A1 APP 1354/4885KDM4E 1857/4885ALDH1A1 1276/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A APP 2004/4885KDM4E 1098/4885ALDH1A1 3052/4885

“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.

Send feedback