SCHEMBL22807709

SCHEMBL22807709

C[C@@H]1C(=O)c2cc(Br)sc2-c2sc(Br)cc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MT-CO1 P00395 1/20 0.32
▸ MT-CO2 P00403 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12711535 0.72 PNMT (0.31) —
SCHEMBL14692605 0.71 PTGS1 (0.39) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL11980220 0.71 PTGS1 (0.39) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL2562180 0.66 PTGS1 (0.39) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL17148355 0.65 APP (0.38) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL12711542 0.64 — —
SCHEMBL15979463 0.62 PTGS1 (0.40) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL12788790 0.61 MEN1 (0.36) —
SCHEMBL14645953 0.59 PTGS1 (0.32) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL13859021 0.58 ALDH1A1 (0.37) PTGS1PTGS2

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-10870655-B2 Indacen-4-one derivatives, process for their preparation and polymers containing them ENI S.P.A. (IT) 2020-12-22 — — 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-10870655-B2 Indacen-4-one derivatives, process for their preparation and polymers containing them CORO1C, INTS9, C5 PTGS1 1363/4885PTGS2 992/4885KDM4E 2938/4885

“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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