SCHEMBL5768436

SCHEMBL5768436

c1ccc(-c2ccc(-c3cc4ccccc4s3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.72
▸ HSD17B1 P14061 1/20 0.64
▸ HSD17B2 P37059 1/20 0.64
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ ESR1 P03372 4/20 0.59
▸ ESR2 Q92731 4/20 0.59
▸ ERN1 O75460 2/20 0.53
▸ HDAC2 Q92769 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.46
▸ NQO1 P15559 1/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ ACLY P53396 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42

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
SCHEMBL29766071 0.96 APP (0.71) APPHSD17B1HSD17B2CA1CA2
SCHEMBL163523 0.96 APP (0.71) APPHSD17B1HSD17B2CA1CA2
Bromide SCHEMBL31564934 0.94 APP (0.69) APPHSD17B1HSD17B2CA1CA2
SCHEMBL27159530 0.94 APP (0.81) APPHSD17B1HSD17B2CA1CA2
SCHEMBL32677328 0.94 APP (0.81) APPHSD17B1HSD17B2CA1CA2
SCHEMBL30340807 0.92 HSD17B1 (0.75) APPHSD17B1HSD17B2CA1CA2
SCHEMBL21476289 0.91 APP (0.67) APPHSD17B1HSD17B2CA1CA2
Formaldehyde SCHEMBL27872210 0.90 APP (0.65) APPHSD17B1HSD17B2CA1CA2
SCHEMBL24368765 0.89 APP (0.60) APPHSD17B1HSD17B2CA1CA2
SCHEMBL24368443 0.89 APP (0.60) APPHSD17B1HSD17B2CA1CA2

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
JP-2006525329-A — — 2006-11-09 — — JP claimed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 — — EP claimed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 — — WO claimed
US-20220223794-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND APPLICATION THEREOF Wuhan Tianma Microelectronics Co., Ltd. Shanghai Branch (CN) 2022-07-14 — — US disclosed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 — — EP disclosed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 — — 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 (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-20220223794-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND APPLICATION THEREOF NR0B2, FPR3, NPR3 APP 4142/4885HSD17B1 2502/4885HSD17B2 1644/4885

“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