SCHEMBL634438

SCHEMBL634438

CC(C)(C)c1cccc([C]=O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
KIF11 P52732 1/20 0.32
ALOX12 P18054 1/20 0.31
NAMPT P43490 1/20 0.31
RBP4 P02753 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
SCHEMBL10413349 0.87 CYP3A4 (0.33) CA2
SCHEMBL9769910 0.83 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL536089 0.80 ALDH1A1 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1697185 0.79 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL13209347 0.79 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL304569 0.77 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4226332 0.75 CA1 (0.38) CA2ALDH1A1TSHRTDP1NPSR1
SCHEMBL11390596 0.73 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1535127 0.73 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27699093 0.73 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP claimed
EP-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP claimed
EP-1590328-B1 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2012-02-22 EP disclosed
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
EP-2383573-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER Astellas Pharma Inc. (JP) 2011-11-02 EP disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
EP-1140836-B1 AMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2011-03-23 EP disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
WO-2010088000-A2 ANTIFIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2010-08-05 WO disclosed
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US disclosed
US-7696225-B2 (2-carboxamido)(3-Amino) thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
WO-1994025427-A1 ETHANOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-10 WO disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993017013-A1 QUINOLYLBENZOFURAN DERIVATIVES AS LEUKOTRIENE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 WO disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 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 (3 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-20110071146-A1 17BetaHSD Type 5 Inhibitor CYP17A1, HSD17B3, HSD3B1 CA2 3723/4885GABRA1 3401/4885GABRB2 3282/4885
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER CYP17A1, KLK3, NR5A1 CA2 3787/4885GABRA1 3450/4885GABRB2 1619/4885
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE SHBG, SRD5A1, AR CA2 2849/4885GABRA1 733/4885GABRB2 514/4885

“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.