SCHEMBL13629794

SCHEMBL13629794

C1=COC(c2ccc3c4ccccc4c4c5cc(-c6ccco6)ccc5c5ccccc5c4c3c2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
ALK Q9UM73 1/20 0.33
MMP2 P08253 3/20 0.32
MMP13 P45452 2/20 0.32
HTR7 P34969 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3A P49840 1/20 0.32
BACE1 P56817 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PIM1 P11309 1/20 0.31
ERN1 O75460 1/20 0.31
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL13615739 0.80 TAAR1 (0.46) ALKMMP2MMP13TAAR1PIM1
SCHEMBL13615926 0.80 TAAR1 (0.46) ALKMMP2MMP13TAAR1PIM1
SCHEMBL13615894 0.80 TAAR1 (0.46) ALKMMP2MMP13TAAR1PIM1
SCHEMBL13615852 0.76 TAAR1 (0.50) ALKCDK2TAAR1PIM1ERN1
SCHEMBL12648008 0.70 TDP2 (0.35) HTR2CHTR7RECQLHSD17B10TDP1
SCHEMBL16985946 0.67 PGR (0.46) ALKTAAR1ERN1HSD17B10ALDH1A1
SCHEMBL1176145 0.65 SLC6A4 (0.51) HTR2CCYP2D6KCNH2
SCHEMBL1176147 0.65 SLC6A4 (0.51) HTR2CCYP2D6KCNH2
SCHEMBL20324685 0.63 AHR (0.49) ALKTAAR1ERN1ALDH1A1PGR
SCHEMBL20324679 0.63 PGR (0.50) ALKTAAR1ERN1HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 HTR2C 4288/4885ALK 1571/4885MMP2 4259/4885

“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.