SCHEMBL11084246

SCHEMBL11084246

Cc1cc(Cl)ccc1OC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL28342821 0.84 CYP3A4 (0.42) TSHRHTR2AHTR2CHTR2BCYP3A4
SCHEMBL2089381 0.79 ACHE (0.41) TSHRTP53CYP3A4ALDH1A1LMNA
SCHEMBL4593314 0.79 TTR (0.49) TSHRTP53LMNAHPGDKMT2A
SCHEMBL29068865 0.78 TRPV4 (0.49) TSHRCYP1A2KDM4ETP53CYP2C19
SCHEMBL13651759 0.78 TRPV4 (0.49) TSHRCYP1A2KDM4ETP53CYP2C19
SCHEMBL28746894 0.78 TTR (0.47) TSHRTP53LMNAHPGDKMT2A
SCHEMBL27870121 0.77 TSHR (0.42) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL11817371 0.77 MEN1 (0.44) KDM4ETP53ALDH1A1LMNASMN1; SMN2
SCHEMBL807773 0.76 SLC6A2 (0.59) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL18348326 0.76 KDM4E (0.42) TSHRKDM4ETP53ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed
US-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-02-02 US disclosed
CN-102924237-A Method for preparing o-cresol and 2,6-dimethyl phenol in mode of reducing unit consumption of methanol BLUESTAR NEW CHEMICAL MATERIALS CO LTD 2013-02-13 CN disclosed
US-20110306671-A1 AMIDE DERIVATIVES OF ETHACRYNIC ACID The Regents of the The University of California (US) 2011-12-15 US disclosed
CN-1258521-C Method for preparing 2 metho 4 chlorine artificial half antigen, artificial antigen, specific antibody and application UNIV ZHEJIANG (CN) 2006-06-07 CN disclosed
US-4424363-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4354031-A HERBICIDES BASF ATIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
US-4316039-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4260775-A Substituted 3-aminopyrazoles BASF AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 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 (2 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-20110306671-A1 AMIDE DERIVATIVES OF ETHACRYNIC ACID EPX, TNF, NFKBIA TSHR 3233/4885HTR2A 1734/4885HTR2C 3141/4885
US-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 TSHR 4207/4885HTR2A 3234/4885HTR2C 2679/4885

“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.