SCHEMBL3597677

SCHEMBL3597677

c1ccc(-c2ccc(C3OCCO3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM1A O60341 3/20 0.47
MAOB P27338 1/20 0.47
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.39
EPHX1 P07099 3/20 0.39
TP53 P04637 1/20 0.39

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
Biphenyl SCHEMBL28725381 0.93 MEN1 (0.56) MEN1CYP2C19KMT2AKDM1AMAOB
SCHEMBL30358225 0.93 CCNB2 (0.44) MEN1CYP2C19KMT2AKDM1AMAOB
SCHEMBL23483030 0.91 MEN1 (0.45) MEN1CYP2C19KMT2AKDM1AMAOB
SCHEMBL24109360 0.91 MEN1 (0.45) MEN1CYP2C19KMT2AKDM1AMAOB
SCHEMBL15392903 0.89 HSD17B10 (0.41) MEN1CYP2C19KMT2AKDM1AMAOB
SCHEMBL366283 0.85 CYP2C19 (0.62) MEN1CYP2C19KMT2ATSHR
SCHEMBL9451016 0.83 MEN1 (0.44) MEN1CYP2C19KMT2ACCNB2CDK1
SCHEMBL12037308 0.80 CCNB2 (0.41) MEN1CYP2C19KMT2ACCNB2CDK1
SCHEMBL21338738 0.80 CCNB2 (0.41) MEN1CYP2C19KMT2ACCNB2CDK1
SCHEMBL14604223 0.80 CCNB2 (0.41) MEN1KMT2AKDM1AMAOBCCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-8211820-B2 Catalyst composition, and process for production of cross-coupling compound using the same KYOTO UNIVERSITY (JP) 2012-07-03 US disclosed
US-7799440-B2 Organic electroluminescent device and host material of luminescent and hole-blocking material thereof CHI MEI OPTOELECTRONICS CORP. (TW) 2010-09-21 US disclosed
US-7799440-B2 Organic electroluminescent device and host material of luminescent and hole-blocking material thereof CHI MEI OPTOELECTRONICS CORP. (TW) 2010-09-21 US disclosed
US-20100094018-A1 CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME KYOTO UNIVERSITY (JP) 2010-04-15 US disclosed
US-20070015005-A1 Organic electroluminescent device and host material of luminescent and hole-blocking material thereof CHI MEI OPTOELECTRONICS CORP. (TW) 2007-01-18 US disclosed
US-20070015005-A1 Organic electroluminescent device and host material of luminescent and hole-blocking material thereof CHI MEI OPTOELECTRONICS CORP. (TW) 2007-01-18 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-20100094018-A1 CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME F11, PYM1, CA2 MEN1 87/4885CYP2C19 154/4885KMT2A 909/4885

“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.