SCHEMBL20200682

SCHEMBL20200682

CCc1c2ccccc2cc2c1[nH]c1c3ccccc3ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 3/20 0.41
CYP1B1 Q16678 2/20 0.41
HIF1A Q16665 1/20 0.41
HTR2A P28223 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NCEH1 Q6PIU2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
ATM Q13315 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL20200673 0.81 KIF11 (0.47) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL20200683 0.79 CDK4 (0.41) KIF11ALDH1A1KDM4EHSD17B10CYP1B1
SCHEMBL5466693 0.77 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL29368226 0.77 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL30914261 0.77 KIF11 (0.75) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL20247764 0.75 KIF11 (0.56) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL5665402 0.75 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CYP1B1HIF1A
SCHEMBL33523872 0.73 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL29250372 0.73 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT
SCHEMBL28758305 0.73 KIF11 (0.69) KIF11ALDH1A1KDM4EHPGDHTT

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-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20180148641-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 KIF11 3969/4885ALDH1A1 854/4885KDM4E 2214/4885

“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.