SCHEMBL2950207

SCHEMBL2950207

Cc1cc(OCC(=O)O)ccc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.62
THRB P10828 7/20 0.61
THRA P10827 6/20 0.61
FKBP1A P62942 1/20 0.60
PTPN7 P35236 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CARM1 Q86X55 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL2959433 0.84 FKBP1A (0.57) THRBTHRAFKBP1ANPSR1RXFP1
SCHEMBL13895737 0.83 PTPN7 (0.53) MCL1THRBTHRAPTPN7MAPT
SCHEMBL5514421 0.83 PTPN7 (0.53) MCL1THRBTHRAPTPN7MAPT
SCHEMBL585812 0.81 MCL1 (0.72) MCL1THRBTHRAFKBP1APTPN7
SCHEMBL30025591 0.81 MCL1 (0.72) MCL1THRBTHRAFKBP1APTPN7
SCHEMBL18488071 0.79 THRB (0.53) MCL1THRBTHRAPTPN7MAPT
SCHEMBL9945969 0.79 KDM4E (0.58) FKBP1AMAPTL3MBTL1CARM1KDM4E
SCHEMBL5514977 0.79 AGER (0.51) MCL1THRBTHRAPTPN7MAPT
SCHEMBL3385737 0.78 PPARD (0.69) MCL1
Acetic Acid SCHEMBL28288847 0.78 MCL1 (0.68) MCL1THRBTHRAFKBP1APTPN7

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
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
EP-3053911-A1 ADIPONECTIN RECEPTOR-ACTIVATING COMPOUND The University of Tokyo (JP) 2016-08-10 EP disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 US disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 US disclosed
US-7763656-B2 Use of Acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2010-07-27 US disclosed
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US disclosed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP disclosed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO disclosed
WO-2000066573-A2 OXA COMBINATORIAL LIBRARY, PRODUCTION AND USE THEREOF CEREP (FR) 2000-11-09 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-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR MCL1 4522/4885THRB 105/4885THRA 78/4885
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 MCL1 3847/4885THRB 1717/4885THRA 2302/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR MCL1 4522/4885THRB 105/4885THRA 78/4885
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 MCL1 3842/4885THRB 1924/4885THRA 2617/4885

“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.