SCHEMBL753676

SCHEMBL753676

Cc1[c]ccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TPMT P51580 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA6 P23280 3/20 0.40
CA9 Q16790 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4064595 0.83 CYP2A6 (0.42) ALDH1A1SMN1; SMN2TDP1MAPTL3MBTL1
SCHEMBL195987 0.81 PARP1 (0.48) ALDH1A1SMN1; SMN2TDP1TSHRCA1
SCHEMBL743658 0.78 HDAC8 (0.47) SMN1; SMN2TSHRCA2THRBHPGD
SCHEMBL745428 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1NPC1HPGD
SCHEMBL2635549 0.78 HDAC6 (0.52) CA12CA1CA9KDM4EALOX15
SCHEMBL1636144 0.78 ATM (0.42) ALDH1A1SMN1; SMN2TSHRKDM4EGAA
SCHEMBL1100872 0.78 CA1 (0.48) ALDH1A1SMN1; SMN2TDP1TSHRCA12
SCHEMBL5857066 0.76 KDM4E (0.42) ALDH1A1SMN1; SMN2TDP1TSHRCA12
SCHEMBL490251 0.76 KDM4E (0.42) ALDH1A1SMN1; SMN2TDP1TSHRCA12
SCHEMBL2467941 0.76 CA12 (0.46) ALDH1A1SMN1; SMN2TDP1TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103396349-B Acyl thiourea compound containing 1-methyl cyclohexyl as well as preparation method and application thereof UNIV ZHEJIANG TECHNOLOGY 2014-12-17 CN claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
CN-103554210-A Sterides 5 alpha-reductase inhibitor, as well as preparation method and medical application thereof UNIV CHINA PHARMA 2014-02-05 CN claimed
CN-103396349-A Acyl thiourea compound containing 1-methyl cyclohexyl as well as preparation method and application thereof UNIV ZHEJIANG TECHNOLOGY 2013-11-20 CN claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US claimed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP claimed
EP-0476456-B1 Substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1997-11-12 EP claimed
EP-0476456-A2 Substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476455-A2 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
CN-105237655-A Marine organism polysaccharide Schiff base derivative, preparation method thereof, and application thereof as agricultural bactericide INST OCEANOLOGY CHINESE ACAD 2016-01-13 CN disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed
US-3968102-A VASODILATOR, ANTICOAGULANT KOHJIN CO., LTD. (JA) 1976-07-06 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 (2 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD ALDH1A1 4785/4885TPMT 3577/4885SMN1; SMN2 3999/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALDH1A1 731/4885TPMT 308/4885SMN1; SMN2 4424/4885

“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.