SCHEMBL744029

SCHEMBL744029

COc1[c]c(Cl)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP1A1 P04798 5/20 0.34
CYP1B1 Q16678 5/20 0.34
CYP3A4 P08684 3/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2E1 P05181 2/20 0.31
CYP2C8 P10632 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP4B1 P13584 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP3A5 P20815 2/20 0.31
CYP2A7 P20853 2/20 0.31

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
SCHEMBL484937 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL19724 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL1569458 0.79 TSHR (0.32) AHR
SCHEMBL11359739 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL1424328 0.77 ACHE (0.39)
SCHEMBL491166 0.76 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL2347540 0.76
SCHEMBL2347097 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A1CYP1B1CYP3A4CA1
SCHEMBL9444304 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL491242 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1400970-A Substituted arylpyrazines NEUROGEN CORP (US) 2003-03-05 CN claimed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US claimed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP claimed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 WO claimed
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
EP-2826774-B1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC (US) 2016-05-25 EP disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
US-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2015-08-20 US disclosed
US-9096567-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2015-08-04 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2826774-A1 Intermediates for 6-substituted phenoxychroman carboxylic acid derivatives Array Biopharma, Inc. (US) 2015-01-21 EP disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1068212-A1 THIAZOLO 4,5-d]PYRIMIDINES AND PYRIDINES AS CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2001-01-17 EP disclosed
US-6107294-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
WO-1999051608-A1 THIAZOLO[4,5-d]PYRIMIDINES AND PYRIDINES AS CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-14 WO disclosed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US disclosed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP disclosed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 WO disclosed
US-4562068-A Sebosuppressive cosmetic preparations containing aryloxobutenoic acid derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-12-31 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 (1 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-20150232442-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD74 ALDH1A1 783/4885CYP1A1 502/4885CYP1B1 716/4885

“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.