SCHEMBL5429670

SCHEMBL5429670

Oc1ccc2cc(-c3cc4ccccc4s3)ccc2c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.75
HSD17B1 P14061 2/20 0.67
HSD17B2 P37059 2/20 0.67
ESR2 Q92731 14/20 0.63
ESR1 P03372 13/20 0.63
ERN1 O75460 1/20 0.56
CYP1A2 P05177 2/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL28813263 0.89 APP (0.67) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL5384482 0.88 APP (0.65) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL6172601 0.86 APP (1.00) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL11959810 0.86 APP (0.62) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL31589824 0.80 APP (0.56) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL13477886 0.80 APP (0.56) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL10045302 0.80 APP (0.56) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL32677328 0.80 APP (0.81) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL27159530 0.80 APP (0.81) APPHSD17B1HSD17B2ESR2ESR1
SCHEMBL12405207 0.79 APP (0.59) APPHSD17B1HSD17B2ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056339-A1 Condensed Polycyclic Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-02-23 US disclosed
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 WO 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 (2 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-20230056339-A1 Condensed Polycyclic Aromatic Compound PAH, AHR, HRH4 APP 2218/4885HSD17B1 2787/4885HSD17B2 1987/4885
US-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM APP 185/4885HSD17B1 2134/4885HSD17B2 2248/4885

“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.