SCHEMBL96575

SCHEMBL96575

[O]C=CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.70
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ARG2 P78540 1/20 0.52
TOP1 P11387 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CALM1 P0DP23 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.39
EPHX2 P34913 1/20 0.39
AKR1B1 P15121 1/20 0.39
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL96574 1.00 MAOB (0.70) MAOBCA1CA2ARG2TOP1
SCHEMBL96498 0.88 MAOB (0.68) MAOBCA1CA2ARG2TOP1
SCHEMBL96497 0.88 MAOB (0.68) MAOBCA1CA2ARG2TOP1
SCHEMBL95698 0.83 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL95697 0.83 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL155055 0.83 MAOB (1.00) MAOBCA1CA2ARG2TOP1
SCHEMBL1524697 0.83 MAOB (1.00) MAOBCA1CA2ARG2TOP1
SCHEMBL155054 0.83 MAOB (1.00) MAOBCA1CA2ARG2TOP1
Phenylacetaldehyde SCHEMBL8571518 0.78
SCHEMBL628859 0.78 MAOB (0.78) MAOBCA1CA2ARG2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
CN-111205206-B Carbonyl compound containing amino acid connecting chain or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国医学科学院医药生物技术研究所 2021-10-22 CN disclosed
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20200055873-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-02-20 US disclosed
US-20180162876-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-06-14 US disclosed
EP-3305789-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVE HAVING HIV REPLICATION INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2018-04-11 EP disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
CN-1178897-C Fungicidal compounds having fluorovinyl-or-fluoropropenyl-oxyphenyloxime moiety and process for prepn. thereof ������ѧ�����о�Ժ 2004-12-08 CN disclosed
CN-1370141-A Fungicidal compounds having fluorovinyl-or-fluoropropenyl-oxyphenyloxime moiety and process for prepn. thereof KOREA RES INST CHEM TECH (KR) 2002-09-18 CN disclosed
US-4370345-A PARASITICIDES; LARVICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 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 (7 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MAOB 3664/4885CA1 890/4885CA2 170/4885
US-20200055873-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY NR4A3, CCR3, NCOA3 MAOB 1080/4885CA1 4064/4885CA2 3429/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB MAOB 2043/4885CA1 3276/4885CA2 823/4885
US-20180162876-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY NR4A3, CCR3, NCOA3 MAOB 1080/4885CA1 4064/4885CA2 3429/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885CA1 2592/4885CA2 254/4885
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity NR4A3, CCR3, NCOA3 MAOB 1080/4885CA1 4064/4885CA2 3429/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885CA1 890/4885CA2 170/4885

“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.