SCHEMBL14744128

SCHEMBL14744128

[N-]=[N+]=Nc1ccc(/C=C/C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TRPA1 O75762 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ XDH P47989 2/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAD51 Q06609 1/20 0.38
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCND1 P24385 1/20 0.35

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
SCHEMBL13895959 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL13882617 0.83 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL23854165 0.83 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL13475881 0.79 CA1 (0.48) ALDH1A1KDM4ECA1CA2CA9
SCHEMBL17818208 0.79 STAT3 (0.43) ALDH1A1MAPTLMNAALOX5CA1
SCHEMBL30002551 0.78 CA1 (0.52) ALDH1A1KDM4ECA1CA2CA9
SCHEMBL18845153 0.76 CA1 (0.41) CA1CA2CA9CA5ACA5B
SCHEMBL13668357 0.76 TP53 (0.42) ALDH1A1KDM4ELMNACA1CA2
SCHEMBL27742228 0.76 CA1 (0.41) ALOX5CA1CA2CA9CA5A
SCHEMBL27738663 0.76 CA1 (0.41) ALOX5CA1CA2CA9CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751124-B1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NAT RECH SCIENT (FR) 2018-05-16 — — EP claimed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 — — US claimed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 — — US claimed
EP-2751124-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION Centre National de la Recherche Scientifique (CNRS) (FR) 2014-07-09 — — EP claimed
WO-2013030193-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-07 — — WO claimed
CN-107253968-B Universal and stereospecific synthesis of gamma, delta-unsaturated amino acids by Wittig reaction 国家科学研究中心 2020-03-13 — — CN disclosed
WO-2020021735-A1 RESIN-COATED METALLIC PIGMENT DIC株式会社 2020-01-30 — — WO disclosed
EP-2751124-B1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NAT RECH SCIENT (FR) 2018-05-16 — — EP disclosed
EP-2751124-B1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NAT RECH SCIENT (FR) 2018-05-16 — — EP disclosed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 — — US disclosed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 — — US disclosed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 — — US disclosed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 — — US disclosed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 — — US disclosed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 — — US disclosed
EP-2751124-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION Centre National de la Recherche Scientifique (CNRS) (FR) 2014-07-09 — — EP disclosed
WO-2013030193-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-07 — — WO disclosed
WO-2013030193-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-07 — — 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 (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-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION BCAT1, BCAT2, ALAD ALDH1A1 380/4885KDM4E 3708/4885MAPT 2046/4885

“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.

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