SCHEMBL692568

SCHEMBL692568

OCc1c(O)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.50
AKR1B1 P15121 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ADAMTS4 O75173 1/20 0.38
EGFR P00533 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
FYN P06241 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MMP8 P22894 1/20 0.38
CA6 P23280 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL110369 0.85 AKR1B1 (0.52) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL19866382 0.82 TSHR (0.48) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL4551579 0.82 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL2136831 0.79 TSHR (0.50) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL6822756 0.79 TAAR1 (0.52) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL31737298 0.79 TAAR1 (0.52) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL137678 0.79 TSHR (0.45) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL2660504 0.76 AKR1B1 (0.45) AKR1B1SMN1; SMN2TAAR1GAALMNA
SCHEMBL10636626 0.76 TSHR (0.46) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1
SCHEMBL9117779 0.76 TSHR (0.42) TSHRALDH1A1AKR1B1SMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659162-A 3, 6-dichlorosalicylic acid compounds and related synthetic methods 孟山都技术公司 2017-05-10 CN disclosed
CN-104710379-A Synthetic method for BMS-191011 UNIV SOUTH CHINA TECH 2015-06-17 CN disclosed
CN-102557971-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2015-06-17 CN disclosed
CN-103403625-A Charge control agent and toner for electrostatic image development containing same ORIENT CHEMICAL IND 2013-11-20 CN disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
EP-2220095-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2013-01-02 EP disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
EP-1644025-A4 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS VION PHARMACEUTICALS INC (US) 2006-11-15 EP disclosed
EP-1644025-A1 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS Vion Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005004897-A1 WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS VION PHARMACEUTICALS, INC. (US) 2005-01-20 WO disclosed
CN-1054365-C Preparation of hydroxy benzaldehyde compound RHONE POULENC CHIMIE (FR) 2000-07-12 CN disclosed
US-5811559-A Preparation of hydroxybenzaldehyes RHONE-POULENC CHIMIE 1998-09-22 US disclosed
US-5689009-A OXIDATION OF THE CORRESPONDING BENZYL ALCOHOL, PLATINUM CATALYST, BORON AND BISMUTH COCATALYST, SALICYLALDEHYDE RHONE-POULENC CHIMIE (FR) 1997-11-18 US disclosed
CN-1111611-A Preparation of hydroxy benzaldehyde compound RHONE POULENC CHIMIE (FR) 1995-11-15 CN 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E TSHR 3152/4885ALDH1A1 1857/4885AKR1B1 1898/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 TSHR 4136/4885ALDH1A1 447/4885AKR1B1 604/4885

“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.