SCHEMBL1710113

SCHEMBL1710113

CCCCSCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.50
CES2 O00748 3/20 0.48
CYP2C9 P11712 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 6/20 0.47
TSHR P16473 2/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
FAAH O00519 4/20 0.43
PLA2G6 O60733 1/20 0.43

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
SCHEMBL11328942 0.94 CES2 (0.57) CES1CES2CYP2C9HSD17B10GMNN
SCHEMBL17785152 0.92 CES2 (0.60) CES1CES2CYP2C9HSD17B10GMNN
SCHEMBL10502981 0.92 CES2 (0.60) CES1CES2CYP2C9HSD17B10GMNN
SCHEMBL20819698 0.92 CES2 (0.60) CES1CES2CYP2C9HSD17B10GMNN
SCHEMBL20483653 0.89 CES1 (0.52) CES1CES2CYP2C9HSD17B10GMNN
SCHEMBL22710170 0.87 GAA (0.48) CES2CYP2C9HSD17B10ALDH1A1TSHR
SCHEMBL20841661 0.87 MGAM (0.52) CYP2C9HSD17B10POLBALDH1A1TSHR
SCHEMBL11451516 0.86 HSD17B10 (0.50) CES1CES2CYP2C9HSD17B10GMNN
SCHEMBL14643394 0.86 CYP1A2 (0.53) HSD17B10POLBALDH1A1TSHRMGAM
SCHEMBL7527314 0.85 MGAM (0.50) CYP2C9HSD17B10POLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11693310-B2 Blue curable resin composition, blue color filter, and display device including same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
EP-2797870-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING 1-[1-PHENYL-CYCLOBUTYL]ISOBUTYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives Revivia Pharmaceuticals, Inc. (US) 2018-07-31 US disclosed
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2018-05-10 US disclosed
US-9695116-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
CN-104039753-B The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method 雷维瓦药品公司 2016-09-14 CN disclosed
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-04-28 US disclosed
US-9238625-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
US-9051397-B2 Oxime ester BASF SE (DE) 2015-06-09 US disclosed
US-9051397-B2 Oxime ester BASF SE (DE) 2015-06-09 US disclosed
EP-2797870-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2014-11-05 EP disclosed
EP-2625166-B1 OXIME ESTER DERIVATIVES OF BENZOCARBAZOLE COMPOUNDS AND THEIR USE AS PHOTOINITIATORS IN PHOTOPOLYMERIZABLE COMPOSITIONS BASF SE (DE) 2014-09-24 EP disclosed
CN-104039753-A Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS INC 2014-09-10 CN disclosed
US-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-20130188270-A1 OXIME ESTER BASF SE (DE) 2013-07-25 US disclosed
US-20130188270-A1 OXIME ESTER BASF SE (DE) 2013-07-25 US disclosed
WO-2013102195-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2013-07-04 WO disclosed
WO-2012045736-A1 OXIME ESTER DERIVATIVES OF BENZOCARBAZOLE COMPOUNDS AND THEIR USE AS PHOTOINITIATORS IN PHOTOPOLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-04-12 WO disclosed
US-7214465-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2007-05-08 US disclosed
US-4317783-A 1-Oxo-3-methyl-2-butene phosphonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-03-02 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 (5 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-20140024679-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CES1 158/4885CES2 42/4885CYP2C9 77/4885
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT CES1 158/4885CES2 42/4885CYP2C9 77/4885
US-20130188270-A1 OXIME ESTER CBR3, CBR1, COX15 CES1 840/4885CES2 538/4885CYP2C9 56/4885
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CES1 158/4885CES2 42/4885CYP2C9 77/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT CES1 158/4885CES2 42/4885CYP2C9 77/4885

“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.