SCHEMBL1965264

SCHEMBL1965264

C=Cc1ccc(C(=O)OCC)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
TSHR P16473 1/20 0.49
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL21052519 0.89 MCL1 (0.57) MCL1CA12CA1CA2CA7
SCHEMBL6617724 0.87 MCL1 (0.53) MCL1CA12CA1CA2CA7
SCHEMBL16694041 0.86 MCL1 (0.44) MCL1CA12CA1CA2CA7
SCHEMBL14321375 0.86 MCL1 (0.55) MCL1CA12CA1CA2CA7
SCHEMBL8698869 0.85 CA12 (0.50) MCL1CA12CA1CA2CA7
SCHEMBL14321653 0.84 MCL1 (0.54) MCL1CA12CA1CA2CA7
SCHEMBL10003520 0.84 MCL1 (0.54) MCL1CA12CA1CA2CA7
SCHEMBL6072487 0.84 MCL1 (0.54) MCL1CA12CA1CA2CA7
SCHEMBL14321006 0.84 MCL1 (0.54) MCL1CA12CA1CA2CA7
SCHEMBL16694221 0.84 MCL1 (0.41) MCL1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458860-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2019-07-26 CN disclosed
CN-106165684-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2019-06-14 CN disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 EP disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 EP disclosed
CN-105025715-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-11-16 CN disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 EP disclosed
WO-2012177813-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-12-27 WO disclosed
WO-2012177813-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-12-27 WO disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 US disclosed
CN-102186847-A novel 2-amido thiadiazole derivatives ALMIRALL SA 2011-09-14 CN disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 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 (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-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS MCL1 3752/4885CA12 2165/4885CA1 1053/4885
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 MCL1 636/4885CA12 4857/4885CA1 4832/4885

“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.