SCHEMBL6937689

SCHEMBL6937689

COC(=O)C=C(C#N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.46
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 7/20 0.43
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 5/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.39
XBP1 P17861 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
SCHEMBL23464797 1.00 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1RAB9AMAPT
Ethane SCHEMBL28318998 0.98 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1RAB9AMAPT
Ammonia Solution, Strong SCHEMBL28319007 0.98 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1RAB9AMAPT
SCHEMBL31467341 0.91 MAPT (0.43) SMN1; SMN2ALDH1A1RAB9AMAPTMAPK1
SCHEMBL21457687 0.88 CA1 (0.43) SMN1; SMN2TSHRALDH1A1MAPTKMT2A
SCHEMBL21457324 0.86 AKR1C3 (0.41) SMN1; SMN2ALDH1A1RAB9AKMT2AL3MBTL1
SCHEMBL21457463 0.85 TDP1 (0.47) SMN1; SMN2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL23465059 0.85 TDP1 (0.47) SMN1; SMN2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL1041414 0.85 ESR1 (0.50) SMN1; SMN2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL23465027 0.83 NQO2 (0.55) ALDH1A1RAB9AMAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9466827-B2 Secondary battery NEC CORPORATION (JP) 2016-10-11 US claimed
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed
EP-2822933-B1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL SCIENT IND RES (IN) 2016-12-28 EP disclosed
US-9466827-B2 Secondary battery NEC CORPORATION (JP) 2016-10-11 US disclosed
US-9096498-B2 CuCN-mediated one pot production of cinnamonitrile derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-04 US disclosed
US-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-29 US disclosed
EP-2822933-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES Council of Scientific & Industrial Research (IN) 2015-01-14 EP disclosed
WO-2013132520-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-09-12 WO disclosed
US-20130164605-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2013-06-27 US disclosed
US-6503710-B2 Providing an amount of DNA containing the mutation, adding primers and a set of modified non-terminating nucleotide triphosphates (NTP) and terminating nucleotide triphosphates for the method of primer extension; hybridization; decomposing BRUKER DALTONIK GMBH (DE) 2003-01-07 US disclosed
US-20020162622-A1 Providing an amount of DNA containing the mutation, adding primers and a set of modified non-terminating nucleotide triphosphates (NTP) and terminating nucleotide triphosphates for the method of primer extension; hybridization; decomposing BRUKER DALTONIK GMBH (DE) 2002-11-07 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 (1 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-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES NISCH, PNN, NCLN SMN1; SMN2 2300/4885TSHR 2691/4885ALDH1A1 334/4885

“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.