SCHEMBL435761

SCHEMBL435761

C1CCC([C]2CCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL8493091 1.00 NISCH (0.32) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7534899 1.00 NISCH (0.32) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2325814 0.97
SCHEMBL13858690 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL542776 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25327994 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7340365 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL77969 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7737845 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL625943 0.93 KMT2A (0.36) NISCHKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
CN-117736362-A Polymer, chemically amplified positive resist composition, resist pattern forming method, and blank mask 信越化学工业株式会社 2024-03-22 CN disclosed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 WO disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (3 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 NISCH 3333/4885KDM4E 2792/4885ALDH1A1 2947/4885
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NISCH 988/4885KDM4E 2709/4885ALDH1A1 586/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B NISCH 1382/4885KDM4E 2692/4885ALDH1A1 240/4885

“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.