SCHEMBL10058754

SCHEMBL10058754

CCCCc1nnc(-c2ccc3cc(-c4nnc(CCCC)s4)ccc3c2)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.41
QPCTL Q9NXS2 5/20 0.39
QPCT Q16769 2/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
DCTPP1 Q9H773 1/20 0.37

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
SCHEMBL10058825 0.97 RAB9A (0.43) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058848 0.97 RAB9A (0.43) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058747 0.97 RAB9A (0.50) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058743 0.95 RAB9A (0.49) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058741 0.95 RAB9A (0.49) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058746 0.95 RAB9A (0.49) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058758 0.95 RAB9A (0.49) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058744 0.95 RAB9A (0.49) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058768 0.95 RAB9A (0.44) RAB9AKDM4EMAPTLMNASUCNR1
SCHEMBL10058828 0.94 RAB9A (0.48) RAB9AKDM4EMAPTLMNASUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8480926-B2 Liquid-crystalline compound and organic semiconductor device containing the compound JNC CORPORATION (JP) 2013-07-09 US disclosed
US-8480926-B2 Liquid-crystalline compound and organic semiconductor device containing the compound JNC CORPORATION (JP) 2013-07-09 US disclosed
US-20120007062-A1 NOVEL LIQUID-CRYSTALLINE COMPOUND AND ORGANIC SEMICONDUCTOR DEVICE CONTAINING THE COMPOUND JNC CORPORATION (JP) 2012-01-12 US disclosed
US-20120007062-A1 NOVEL LIQUID-CRYSTALLINE COMPOUND AND ORGANIC SEMICONDUCTOR DEVICE CONTAINING THE COMPOUND JNC CORPORATION (JP) 2012-01-12 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-20120007062-A1 NOVEL LIQUID-CRYSTALLINE COMPOUND AND ORGANIC SEMICONDUCTOR DEVICE CONTAINING THE COMPOUND ARNT, SLCO2A1, CRY2 RAB9A 1757/4885KDM4E 3424/4885MAPT 2828/4885

“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.