SCHEMBL7539458

SCHEMBL7539458

CN(CCOc1ccc(C=CC(=O)C(F)(F)F)cc1)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.49
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1B1 Q16678 2/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ CYSLTR1 Q9Y271 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.41

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
SCHEMBL7539455 0.80 MEN1 (0.52) PPARAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7630846 0.78 HDAC1 (0.53) PPARACYP1A1CYP1B1HDAC3HDAC4
SCHEMBL7628375 0.77 ATM (0.41) HDAC1HDAC2MEN1KMT2AFDPS
SCHEMBL6499765 0.77 EBP (0.46) PPARAMEN1KMT2AFDPSATM
SCHEMBL7542604 0.76 PPARG (0.41) PPARAMAOBMEN1KMT2AUTS2R
SCHEMBL7536521 0.76 ATM (0.40) PPARAMEN1KMT2AUTS2RFDPS
SCHEMBL6487579 0.75 EBP (0.44) PPARAHDAC1MEN1KMT2AUTS2R
SCHEMBL7535741 0.75 PPARG (0.44) PPARAMAOBMEN1KMT2AFDPS
SCHEMBL5150867 0.74 CYP1A2 (0.62) CYP1B1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5150869 0.74 CYP1A2 (0.62) CYP1B1HDAC3HDAC4HDAC1HDAC7

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-6414179-B1 USEFUL AGENTS IN THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA, ARTHRITIS, INFLAMMATORY BOWEL DISEASE AND NEURODEGENERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 — — US disclosed
US-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-05-30 — — 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-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors PLA2G4B, PLA2G1B, PLA2R1 PPARA 759/4885CYP1A1 429/4885CYP1B1 255/4885

“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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