SCHEMBL31094563

SCHEMBL31094563

c1ccc(-c2ccccc2Nc2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ESR1 P03372 3/20 0.44
▸ ESR2 Q92731 3/20 0.44
▸ CDC25B P30305 2/20 0.43
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL30724562 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL30761893 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL24949950 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL24634395 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL24553505 0.95 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL24911621 0.93 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL29830533 0.93 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL17733321 0.92 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL19660499 0.92 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDHSD17B10ESR1
SCHEMBL17463732 0.91 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDHSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336585-A1 Organic Compound, Organic Semiconductor Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-10-10 — — US disclosed
CN-118684641-A Organic compound, organic semiconductor device, and electronic device 株式会社半导体能源研究所 2024-09-24 — — CN 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-20240336585-A1 Organic Compound, Organic Semiconductor Device, and Electronic Appliance ACVRL1, ASH2L, ARL1 ALDH1A1 1176/4885CYP3A4 1600/4885HPGD 4792/4885

“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.

Send feedback