SCHEMBL18907328

SCHEMBL18907328

C1=CC(c2cc(CCc3ccccc3)c(CCc3ccccc3)cn2)=CCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
HTR1A P08908 3/20 0.32
DRD2 P14416 3/20 0.32
ABCB1 P08183 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDE10A Q9Y233 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4130358 0.72 TDP1 (0.50) KDM4ENPC1CYP1A2RAB9AL3MBTL1
SCHEMBL21975337 0.68 ASIC3 (0.46) HTR1ANPC1CYP1A2CYP2C19RAB9A
SCHEMBL22068582 0.66 ASIC3 (0.44) HTR1AKDM4ENPC1
SCHEMBL24696102 0.65 NOS3 (0.30)
SCHEMBL29437822 0.65 VNN1 (0.46)
SCHEMBL24794924 0.64 CHRNB2 (0.44) NPC1RAB9A
SCHEMBL9485195 0.64 ALDH1A1 (0.52) HTR1ADRD2
SCHEMBL22736638 0.61 MEN1 (0.55) HTR1ADRD2KDM4ERAB9AL3MBTL1
SCHEMBL23033831 0.61 MAPT (0.44) KDM4EL3MBTL1
SCHEMBL11983573 0.61 CCR1 (0.53) KDM4ECYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
US-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, OCIAD1, CCNT1 IDO1 2418/4885IDO2 3174/4885HTR1A 1563/4885

“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.