SCHEMBL17877049

SCHEMBL17877049

CSc1ccc2ccccc2c1/C=C/c1c(SC)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.43
▸ CYP2A6 P11509 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ERN1 O75460 1/20 0.40
▸ HPRT1 P00492 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL17875626 0.91 CYP2A6 (0.44) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL17875620 0.85 ERN1 (0.55) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL5549796 0.79 RAB9A (0.51) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL11908113 0.79 CYP2A6 (0.50) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL5549758 0.77 RAB9A (0.40) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL13021634 0.75 TSHR (0.56) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL1057369 0.75 CYP2A6 (0.46) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL30357700 0.75 CYP2A6 (0.46) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL17875623 0.73 POLB (0.50) SLC2A1CYP2A6ALDH1A1TDP1TSHR
SCHEMBL5610086 0.73 SLC2A1 (0.44) SLC2A1CYP2A6ALDH1A1TDP1TSHR

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-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 — — 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-20160190465-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, TYR, ALDH1A2 SLC2A1 4756/4885CYP2A6 245/4885ALDH1A1 21/4885

“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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