SCHEMBL6340548

SCHEMBL6340548

CCCCO[CH]COCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ATM Q13315 1/20 0.32
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11551590 0.93 TSHR (0.42) TSHRADRB2ADRB1ADRB3ATM
SCHEMBL9242453 0.88 HTT (0.40) TSHRCYP3A4ALDH1A1
SCHEMBL11040216 0.87 HSD17B10 (0.33) HSD17B10
SCHEMBL20239708 0.86 TSHR (0.33) TSHRADRB2ADRB1ADRB3ATM
SCHEMBL20239689 0.85 TSHR (0.37) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL5091619 0.84 HTT (0.45) TSHRALDH1A1
SCHEMBL6903306 0.84 HTT (0.45) TSHRALDH1A1
SCHEMBL10493858 0.79 TSHR (0.39) TSHRADRB2ADRB1ADRB3ATM
SCHEMBL20239702 0.79 THRB (0.41) TSHRALDH1A1
SCHEMBL20239827 0.79 THRB (0.41) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-02-03 US disclosed
US-6835752-B2 Can bind to Prostaglandin E2 receptors, especially, EP3 receptor and/or EP4 receptor and show antagonizing activity, and may be useful for prevention and/or treatment of disease, for example, pain, allergy, Alzheimer's disease, cancer ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-11-25 US disclosed
US-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 US disclosed
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
EP-1312601-A1 CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-21 EP disclosed
EP-0559859-A1 FLUOROBENZONITRILES AND LIQUID CRYSTALLINE MIXTURES CONTAINING THEM MERCK PATENT GmbH (DE) 1993-09-15 EP disclosed
WO-1993007136-A1 FLUOROBENZONITRILES AND LIQUID CRYSTALLINE MIXTURES CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO 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 (4 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-20050026908-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical aggents comprising the same as active ingredient PTGER4, PTGER3, LTB4R TSHR 2539/4885ADRB2 778/4885ADRB1 531/4885
US-20040235825-A1 Carboxylic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PTGER4, PTGER1, LTB4R TSHR 2511/4885ADRB2 416/4885ADRB1 306/4885
US-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient PTGER1, PTGER4, PTGES TSHR 3226/4885ADRB2 367/4885ADRB1 250/4885
US-20030216381-A1 Carboxylic acid derivatives, process for producing the same and drugs containing the same as the active ingredient PTGER4, PTGER1, PTGER2 TSHR 2553/4885ADRB2 393/4885ADRB1 251/4885

“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.