SCHEMBL18359595

SCHEMBL18359595

COc1cc2c(cc1-c1c(C)noc1C)cc(CC(=O)O)c(=O)n2CCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.42
▸ BRD4 O60885 9/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ BRD2 P25440 1/20 0.41
▸ BRD3 Q15059 1/20 0.41
▸ CREBBP Q92793 3/20 0.36
▸ EP300 Q09472 2/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL16896809 0.91 BRD4 (0.41) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL16905797 0.88 BRD4 (0.42) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL20495558 0.87 BRD4 (0.40) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL16896928 0.87 BRD4 (0.40) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL18359630 0.86 BRD4 (0.47) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL18359550 0.86 BRD4 (0.40) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL16906139 0.86 BRD4 (0.39) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL18359576 0.86 BRD4 (0.40) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL18359525 0.85 BRD4 (0.44) FFAR1BRD4CYP3A4CYP2C9BRD2
SCHEMBL16896824 0.84 BRD4 (0.39) FFAR1BRD4CYP3A4CYP2C9BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 — — US claimed
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 — — US disclosed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 — — 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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 FFAR1 4032/4885BRD4 2/4885CYP3A4 2191/4885

“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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