SCHEMBL20200673

SCHEMBL20200673

CCc1c2ccccc2cc2c1[nH]c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43

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
SCHEMBL3462093 0.86 KIF11 (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20200683 0.81 CDK4 (0.41) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20200682 0.81 KIF11 (0.49) KIF11HTTALDH1A1KDM4EMAPT
SCHEMBL3197265 0.76 RAB9A (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL9514812 0.75 MAPT (0.53) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL7151023 0.74 CHEK1 (0.46) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23728995 0.74 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL21448308 0.74 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL30180889 0.74 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL20160606 0.74 APP (0.55) KIF11GABRPGABRDGABRA1GABRB1

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 3969/4885GABRP 3234/4885GABRD 1585/4885

“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.