SCHEMBL7506775

SCHEMBL7506775

COC(=O)CC(Cc1ccccc1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.52
▸ LTA4H P09960 3/20 0.50
▸ CPA1 P15085 2/20 0.50
▸ CPB1 P15086 1/20 0.50
▸ CPA3 P15088 1/20 0.50
▸ CPB2 Q96IY4 1/20 0.50
▸ ABCB1 P08183 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ABCC3 O15438 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ RARG P13631 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ NR1H2 P55055 1/20 0.47

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
SCHEMBL13184970 1.00 CYP1A2 (0.52) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL9574107 0.88 CPA1 (0.66) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL7505398 0.88 CPA1 (0.66) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL7506768 0.87 KMT2A (0.54) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL9755831 0.87 KMT2A (0.54) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL26954314 0.85 MMP1 (0.52) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL13165582 0.84 CYP1A2 (0.49) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL9574213 0.83 ABCB1 (0.57) CYP1A2CPA1CPB1CPA3CPB2
SCHEMBL7507675 0.83 LTA4H (0.51) CYP1A2LTA4HCPA1CPB1CPA3
SCHEMBL7506745 0.82 CYP1A2 (0.59) CYP1A2LTA4HCPA1CPB1CPA3

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-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 — — US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 — — 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CYP1A2 1025/4885LTA4H 1524/4885CPA1 106/4885

“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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