SCHEMBL8928081

SCHEMBL8928081

COc1cccc(/C=C/C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.61
NFE2L2 Q16236 4/20 0.57
CYP19A1 P11511 1/20 0.56
NQO2 P16083 1/20 0.56
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
CHRM5 P08912 1/20 0.53

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
SCHEMBL8928082 1.00 RELA (0.61) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700055 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL31317665 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL23158820 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL700056 0.82 RELA (0.84) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL27684142 0.82 ABL1 (0.50) RELANFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL22029554 0.82 FDPS (0.54) RELACYP19A1NQO2TUBB4ATUBB
SCHEMBL2119755 0.82 RELA (0.61) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL2119753 0.82 RELA (0.61) RELANFE2L2CYP19A1NQO2TUBB4A
SCHEMBL21457214 0.81 KDM4E (0.57) RELAENPP2ACMSDFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN claimed
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN claimed
EP-4712974-A2 STAT DEGRADERS AND USES THEREOF Recludix Pharma, Inc. (US) 2026-03-25 EP disclosed
EP-4709370-A2 STAT DEGRADERS AND USES THEREOF Recludix Pharma, Inc. (US) 2026-03-18 EP disclosed
WO-2024238603-A2 STAT DEGRADERS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2024-11-21 WO disclosed
WO-2024233639-A2 STAT DEGRADERS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2024-11-14 WO disclosed
CN-111606824-B Beta-amino nitrile compound and preparation method thereof 东北师范大学 2023-03-14 CN disclosed
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
CN-111606824-A Beta-amino nitrile compound and preparation method thereof 东北师范大学 2020-09-01 CN disclosed
US-20150087633-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS RIGEL PHARMACEUTICALS, INC. (US) 2015-03-26 US disclosed
EP-2828263-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS AND THEIR USE AS TGR5 AGONISTS Rigel Pharmaceuticals, Inc. (US) 2015-01-28 EP disclosed
US-8927564-B2 Synthesis of polycyclic alkaloids RIGEL PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20130237524-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS RIGEL PHARMACEUTICALS, INC. (US) 2013-09-12 US disclosed
WO-2013134527-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS AND THEIR USE AS TGR5 AGONISTS RIGEL PHARMACEUTICALS, INC. (US) 2013-09-12 WO disclosed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 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-20150087633-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS PNMT, ACHE, PRMT5 RELA 771/4885NFE2L2 2387/4885CYP19A1 416/4885
US-20130237524-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS PNMT, ACHE, PRMT5 RELA 771/4885NFE2L2 2387/4885CYP19A1 416/4885

“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.