SCHEMBL3766778

SCHEMBL3766778

COS(=O)(=O)c1ccc(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
F2 P00734 1/20 0.53
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.42
MEP1B Q16820 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL30747061 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL2326884 0.85 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL11713180 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL7708846 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL19050707 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL9574360 0.82 CA12 (0.41) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL14944185 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL13290903 0.80 MCOLN3 (0.55) ALDH1A1LMNASMN1; SMN2PKMMAPK1
SCHEMBL15000817 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EF2LMNA
SCHEMBL27983426 0.80 ESR2 (0.44) ALDH1A1MAPTKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117517496-A Detection method of benzenesulfonate impurities in voathixetine hydrobromide 山东京卫制药有限公司 2024-02-06 CN claimed
CN-111769326-A Ternary cathode material lithium ion battery electrolyte 合肥国轩高科动力能源有限公司 2020-10-13 CN claimed
CN-117517496-A Detection method of benzenesulfonate impurities in voathixetine hydrobromide 山东京卫制药有限公司 2024-02-06 CN disclosed
CN-111769326-A Ternary cathode material lithium ion battery electrolyte 合肥国轩高科动力能源有限公司 2020-10-13 CN disclosed
CN-110759886-A Preparation method of 18-crown ether-6 上海帅乐化工科技有限公司 2020-02-07 CN disclosed
US-10248003-B2 Non-linear optical crystal and method for manufacturing same, and terahertz-wave generator and terahertz-wave measuring apparatus HAMAMATSU PHOTONICS K.K. (JP) 2019-04-02 US disclosed
US-20170248833-A1 NON-LINEAR OPTICAL CRYSTAL AND METHOD FOR MANUFACTURING SAME, AND TERAHERTZ-WAVE GENERATOR AND TERAHERTZ-WAVE MEASURING APPARATUS HAMAMATSU PHOTONICS K.K. (JP) 2017-08-31 US disclosed
EP-2076563-B1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS BASF SE (DE) 2016-08-17 EP disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-02 US disclosed
US-8084522-B2 Thermally stable cationic photocurable compositions BASF SE (DE) 2011-12-27 US disclosed
US-20100304284-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS IGM GROUP B.V. (NL) 2010-12-02 US disclosed
EP-2076563-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS Ciba Holding Inc. (CH) 2009-07-08 EP disclosed
WO-2008049743-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS CIBA HOLDING INC. (CH) 2008-05-02 WO disclosed
EP-0824125-A1 Covering composition based on dicyclopentadiene derivatives Ciba SC Holding AG (CH) 1998-02-18 EP disclosed
US-4012397-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-15 US disclosed
US-3969361-A 2-Benzoyl-3-amino-pyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-07-13 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-10248003-B2 Non-linear optical crystal and method for manufacturing same, and terahertz-wave generator and terahertz-wave measuring apparatus PNPO, PDXK, TST ALDH1A1 2547/4885MAPT 2580/4885KDM4E 2853/4885
US-20120196847-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 ALDH1A1 3941/4885MAPT 1546/4885KDM4E 2218/4885

“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.