SCHEMBL13171109

SCHEMBL13171109

N#Cc1ccccc1-c1cccc(-c2cc3c4ccccc4c4cc(-c5cc6ccccc6c6ccccc56)ccc4c3c3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ GABRG2 P18507 6/20 0.38
▸ GABRB3 P28472 6/20 0.38
▸ GABRA1 P14867 5/20 0.38
▸ GABRA2 P47869 4/20 0.38
▸ GABRA5 P31644 4/20 0.38
▸ GABRA3 P34903 4/20 0.38
▸ CYP11B1 P15538 2/20 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
SCHEMBL22858139 0.92 ESR2 (0.36) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL22868391 0.90 GABRG2 (0.43) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL13171027 0.88 ESR2 (0.45) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL13170972 0.84 TRPA1 (0.46) ALDH1A1HSD17B10HPGDMAPK1TRPA1
SCHEMBL13171055 0.84 ESR2 (0.49) ALDH1A1HSD17B10HPGDMAPK1TRPA1
SCHEMBL17297044 0.81 ESR2 (0.56) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL13170985 0.79 TRPA1 (0.43) ALDH1A1HSD17B10HPGDMAPK1TRPA1
SCHEMBL13171037 0.79 FASN (0.40) TRPA1CYP11B1MCL1CA1CA2
SCHEMBL25038458 0.78 CYP11B1 (0.37) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL13192432 0.78 ESR2 (0.61) ALDH1A1HSD17B10HPGDMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 — — US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 — — US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 — — US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 — — 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 ALDH1A1 838/4885HSD17B10 2623/4885HPGD 3391/4885

“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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