SCHEMBL19968090

SCHEMBL19968090

c1ccc2c(c1)[nH]c1c2ccc2c3cc4c(cc3ccc21)oc1ccccc14

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.53
▸ MPL P40238 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ AHR P35869 3/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41

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
SCHEMBL22531004 0.90 KIF11 (0.54) KIF11MPLCYP1A2AHRMAOA
SCHEMBL28499812 0.85 KIF11 (0.60) KIF11MPLCYP1A2AHRMAOA
SCHEMBL25703399 0.81 CYP1A2 (0.46) KIF11CYP1A2AHRMAOAMEN1
SCHEMBL19636274 0.81 KIF11 (0.54) KIF11CYP1A2AHRMAOAMEN1
SCHEMBL17381201 0.79 GABRP (0.56) KIF11CYP1A2AHRMAOAMEN1
SCHEMBL18666118 0.78 CDK4 (0.54) CYP1A2AHRMAOAMEN1KMT2A
SCHEMBL21942155 0.78 KIF11 (0.54) KIF11CYP1A2AHRMAOAMEN1
SCHEMBL17380874 0.77 GABRP (0.54) KIF11CYP1A2AHRMAOAMEN1
SCHEMBL10937416 0.77 KIF11 (0.70) KIF11MPLCYP1A2AHRMAOA
SCHEMBL14822627 0.77 CYP1A2 (0.60) KIF11CYP1A2AHRMAOAMEN1

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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 KIF11 2126/4885MPL 2911/4885CYP1A2 78/4885

“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.

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