SCHEMBL5048602

SCHEMBL5048602

CCCCC(Cl)CCCCC(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 3/20 0.61
TP53 P04637 1/20 0.60
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
CA2 P00918 3/20 0.38
AKR1B1 P15121 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
TLR2 O60603 1/20 0.37

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
SCHEMBL9061571 0.94 TSHR (0.72) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL11389160 0.86 ALDH1A1 (0.59) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL7607291 0.83 FFAR4 (0.60) TSHRALDH1A1FFAR4FFAR1AKR1B1
SCHEMBL3569707 0.82 TSHR (0.59) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL9062095 0.82 TSHR (0.72) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL28202354 0.81 ALDH1A1 (0.41) TSHRALDH1A1TP53
Chloroform SCHEMBL28417485 0.80 TSHR (0.86) TSHRALDH1A1TP53FFAR4FFAR1
Decanoic Acid SCHEMBL8358611 0.80 FFAR4 (0.67) TSHRALDH1A1FFAR4FFAR1AKR1B1
Hydrochloric Acid SCHEMBL9679288 0.80 ALDH1A1 (0.57) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL10977655 0.80 ALDH1A1 (0.63) TSHRALDH1A1TP53FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR Chiromics, LLC 2022-12-22 US disclosed
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 US disclosed
EP-3830083-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR Chiromics, LLC (US) 2021-06-09 EP disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 US disclosed
US-10603313-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2020-03-31 US disclosed
WO-2020023073-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR Chiromics, LLC (US) 2020-01-30 WO disclosed
US-20190030020-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2019-01-31 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed
EP-1718299-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-08 EP disclosed
US-7053103-B2 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-30 US disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 US disclosed
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 WO disclosed
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists LOUGHHEAD DAVID GARRETT (US) 2005-01-20 US disclosed
US-6821984-B2 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SYNTEX (U.S.A.) LLC 2004-11-23 US disclosed
EP-1453832-A1 RING FUSED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2004-09-08 EP disclosed
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC 2004-01-08 US disclosed
WO-2003048160-A1 RING FUSED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-12 WO disclosed
US-5130478-A Chlorination of lactones to improve stability to heat or light SOCIETE NATIONALE DE POUDRES ET EXPLOSIFS (FR) 1992-07-14 US disclosed
US-4210648-A ANTIULCEROGENICS, SECRETION INHIBITORS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-01 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-10603313-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 TSHR 284/4885ALDH1A1 2533/4885TP53 4814/4885
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 TSHR 742/4885ALDH1A1 545/4885TP53 4844/4885
US-20220401430-A1 ALLOSTERIC MODULATORS OF THE MU OPIOID RECEPTOR OPRM1, OPRK1, OPRD1 TSHR 284/4885ALDH1A1 2533/4885TP53 4814/4885
US-20050014781-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R TSHR 244/4885ALDH1A1 1791/4885TP53 4371/4885
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 TSHR 284/4885ALDH1A1 2533/4885TP53 4814/4885
US-20040006066-A1 Ring fused pyrazole derivatives as CRF antagonists CRHR1, CRHR2, MC2R TSHR 287/4885ALDH1A1 1414/4885TP53 4664/4885
US-20190030020-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 TSHR 270/4885ALDH1A1 3558/4885TP53 4781/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 TSHR 284/4885ALDH1A1 2533/4885TP53 4814/4885

“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.