SCHEMBL570653

SCHEMBL570653

c1ccc(N=C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL17053451 0.97 ALDH1A1 (0.41) MEN1KMT2ARAB9AGAANPC1
Aniline SCHEMBL7809682 0.89 TSHR (0.44) MEN1KMT2ARAB9AGAANPC1
SCHEMBL9359959 0.87 ALDH1A1 (0.39) MEN1KMT2ARAB9AGAANPC1
SCHEMBL8744041 0.82 LTA4H (0.44) ALDH1A1KDM4ETSHRMAOA
SCHEMBL8744066 0.76 S100B (0.39) MEN1KMT2ARAB9AGAANPC1
SCHEMBL8922666 0.76 MAPT (0.44) MEN1KMT2ARAB9AGAANPC1
SCHEMBL8744002 0.76 NPC1 (0.39) MEN1KMT2ARAB9AGAANPC1
SCHEMBL11690323 0.76 ALDH1A1 (0.42) MEN1KMT2ARAB9AGAANPC1
SCHEMBL8744025 0.76 KDM4E (0.46) KMT2ARAB9AGAANPC1ALDH1A1
SCHEMBL3921739 0.76 TSHR (0.40) ALDH1A1TDP1TSHRCASP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907214-B Preparation method of dicyclohexylamine 万华化学集团股份有限公司 2023-05-26 CN claimed
CN-114907214-A Preparation method of dicyclohexylamine 万华化学集团股份有限公司 2022-08-16 CN claimed
US-9701617-B2 Process for producing diamines and polyamines of the diphenylmethane series COVESTRO DEUTSCHLAND AG (DE) 2017-07-11 US claimed
EP-2103595-B1 Method for producing di and polyamines of diphenylmethane series COVESTRO DEUTSCHLAND AG (DE) 2017-04-19 EP claimed
EP-2601170-A1 PROCESS FOR THE PRODUCTION OF HIGHLY PURE DICYCLOHEXYLAMINE FROM BY-PRODUCTS RESULTING FROM THE PRODUCTON OF CYCLOHEXYLAMINE Duslo, A.S. (SK) 2013-06-12 EP claimed
WO-2012018310-A1 PROCESS FOR THE PRODUCTION OF HIGHLY PURE DICYCLOHEXYLAMINE FROM BY-PRODUCTS RESULTING FROM THE PRODUCTON OF CYCLOHEXYLAMINE DUSLO, A.S. (SK) 2012-02-09 WO claimed
US-20090240077-A1 PROCESS FOR PRODUCING DIAMINES AND POLYAMINES OF THE DIPHENYLMETHANE SERIES BAYER MATERIALSCIENCE AG (DE) 2009-09-24 US claimed
EP-2103595-A1 Method for producing di and polyamines of diphenylmethane series Bayer MaterialScience AG (DE) 2009-09-23 EP claimed
EP-0501265-B1 Method for the production of a mixture of cyclohexyl amine and dicyclohexyl amine using a noble metal supported catalyst BAYER AG (DE) 1994-11-02 EP claimed
EP-0494455-B1 Process for the preparation of diphenylamines BAYER AG (DE) 1994-07-27 EP claimed
US-5322965-A Hydrogenation of optionally substituted aniline with palladium and ruthenium on niobic acid support BAYER AKTIENGESELLSCHAFT (DE) 1994-06-21 US claimed
US-5247009-A Reacted with an imine and an acid halide, tires NIPPON ZEON CO., LTD. (JP) 1993-09-21 US claimed
US-5196592-A Rhodium containing dehydrogenation catalyst BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US claimed
EP-0501265-A1 Method for the production of a mixture of cyclohexyl amine and dicyclohexyl amine using a noble metal supported catalyst BAYER AG (DE) 1992-09-02 EP claimed
EP-0494455-A1 Process for the preparation of diphenylamines BAYER AG (DE) 1992-07-15 EP claimed
US-4677153-A REACTING WITH AN ACYL HALIDE AND NIPPON ZEON CO., LTD. (JP) 1987-06-30 US claimed
US-4057581-A CATALYTIC DEHYDROGENATION, NICKEL-CHROMIUM-MANGANESE OR COPPER OR ALUMINUM CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-11-08 US claimed
JP-11343344-A None JP disclosed
US-3984544-A Retinoic acid esters of steroids of the pregnane series, their use in the treatment of acne and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1976-10-05 US disclosed
US-3932388-A STEROIDS, GLUCOCORTICOID ACITIVITY SCHERING CORPORATION (US) 1976-01-13 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 (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-20090240077-A1 PROCESS FOR PRODUCING DIAMINES AND POLYAMINES OF THE DIPHENYLMETHANE SERIES SRM, PNMT, DDT MEN1 2360/4885KMT2A 383/4885RAB9A 3656/4885

“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.