SCHEMBL1401449

SCHEMBL1401449

O=C(O)c1ccc(CBr)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.56
ALDH1A1 P00352 6/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
TSHR P16473 2/20 0.55
KDM4E B2RXH2 6/20 0.52
MAPT P10636 3/20 0.52
PTPN1 P18031 2/20 0.52
GAA P10253 2/20 0.52
CYP3A4 P08684 1/20 0.52
ESR2 Q92731 1/20 0.52
KLKB1 P03952 2/20 0.50
CTSB P07858 2/20 0.50
MMP9 P14780 2/20 0.50
LCK P06239 1/20 0.50
DNMT1 P26358 1/20 0.50

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
SCHEMBL15821603 0.84 KLKB1 (0.71) ALDH1A1CA12CA1CA2CA7
SCHEMBL2857663 0.83 KLKB1 (0.48) ALDH1A1PTPN1KLKB1CTSBMMP9
SCHEMBL28614798 0.82 ESR1 (0.49) PPARAALDH1A1TSHRKDM4EMAPT
SCHEMBL1401513 0.82 ALDH1A1 (0.57) PPARAALDH1A1CA12CA1CA2
SCHEMBL2837159 0.82 ALDH1A1 (0.57) PPARAALDH1A1CA12CA1CA2
Ethane SCHEMBL28174847 0.81 KLKB1 (0.67) ALDH1A1CA12CA1CA2CA7
SCHEMBL1018494 0.80 PTPN1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL2126940 0.80 PPARA (0.65) PPARAALDH1A1CA12CA1CA2
SCHEMBL9700550 0.80 PTPN1 (0.52) PPARAALDH1A1CA12CA1CA2
SCHEMBL15743770 0.80 PPARA (0.56) PPARAALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639487-A Therapeutic aryl-amido-aryl compounds and their uses KING S COLLEGE LONDON 2012-08-15 CN disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
EP-1646608-A4 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2006-11-22 EP disclosed
EP-1646608-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL Pharmaceutical Co., Ltd. (KR) 2006-04-19 EP disclosed
WO-2004113281-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO., LTD. (KR) 2004-12-29 WO disclosed
EP-0839134-B1 BENZOYL PIPERIDINES/PYRROLIDINES FOR ENHANCING SYNAPTIC RESPONSE UNIV CALIFORNIA (US) 2004-02-18 EP disclosed
US-5783587-A PSYCHOLOGICAL AND BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-21 US disclosed
EP-0839134-A1 BENZOYL PIPERIDINES/PYRROLIDINES FOR ENHANCING SYNAPTIC RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-05-06 EP disclosed
US-5650409-A FOR IMPROVING MEMORY, OR TREATING DEPRESSION, ALCOHOLISM OR SCHIZOPHRENIA CORTEX PHARMACEUTICALS, INC. (US) 1997-07-22 US disclosed
WO-1996038414-A1 BENZOYL PIPERIDINES/PYRROLIDINES FOR ENHANCING SYNAPTIC RESPONSE CORTEX PHARMACEUTICALS, INC. (US) 1996-12-05 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 (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-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them VEGFA, TUBB3, TUBA3C PPARA 3877/4885ALDH1A1 2180/4885CA12 1330/4885

“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.