SCHEMBL3754009

SCHEMBL3754009

COc1cc(C)c(Cl)cc1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 3/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CD44 P16070 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL92053 0.90 KMT2A (0.47) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL8233721 0.87 GLA (0.53) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL29587813 0.87 GLA (0.53) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL12706044 0.87 GAA (0.43) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL91989 0.85 GAA (0.58) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL92052 0.85 GAA (0.52) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL1755249 0.85 NPC1 (0.58) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL2954181 0.84 TAAR1 (0.56) GLAKMT2ATAAR1ALDH1A1MEN1
SCHEMBL383766 0.82 GAA (0.54) GLATSHRKMT2ATAAR1ALDH1A1
SCHEMBL5438387 0.79 GAA (0.69) GLATSHRKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2021-05-06 US disclosed
WO-2021069705-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS (CH) 2021-04-15 WO disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2020-08-25 US disclosed
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2020-04-30 US disclosed
US-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 US disclosed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
US-20110160163-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20070066724-A1 Bisazoquinolone pigments, processes for their preparation and their use BENKHOFF JOHANNES 2007-03-22 US disclosed
US-20070066724-A1 Bisazoquinolone pigments, processes for their preparation and their use BENKHOFF JOHANNES 2007-03-22 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 (11 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-20110160163-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 GLA 3595/4885TSHR 3685/4885KMT2A 3115/4885
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 GLA 691/4885TSHR 925/4885KMT2A 3426/4885
US-20210130337-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB GLA 1343/4885TSHR 841/4885KMT2A 1699/4885
US-20200131165-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB GLA 1343/4885TSHR 841/4885KMT2A 1699/4885
US-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 GLA 3741/4885TSHR 3750/4885KMT2A 3956/4885
US-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 GLA 4864/4885TSHR 149/4885KMT2A 2280/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 GLA 3432/4885TSHR 1410/4885KMT2A 3292/4885
US-20070066724-A1 Bisazoquinolone pigments, processes for their preparation and their use NR2E3, NR4A3, NR4A1 GLA 4129/4885TSHR 594/4885KMT2A 3520/4885
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 GLA 258/4885TSHR 3137/4885KMT2A 800/4885
US-10752616-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists RARB, RARA, RXRB GLA 1323/4885TSHR 824/4885KMT2A 1730/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT GLA 480/4885TSHR 4645/4885KMT2A 2712/4885

“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.