SCHEMBL13976005

SCHEMBL13976005

COc1nc2cc(OC(F)(F)F)ccc2c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.40
▸ PPM1A P35813 2/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ TRPV4 Q9HBA0 2/20 0.40
▸ PLA2G2A P14555 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL13975119 0.95 TRPA1 (0.40) TRPA1PPM1AGPR3TRPV4PLA2G2A
SCHEMBL13975867 0.95 TRPV4 (0.43) TRPA1PPM1AGPR3TRPV4PLA2G2A
SCHEMBL13975118 0.89 TRPV4 (0.43) TRPA1PPM1AGPR3TRPV4PLA2G2A
SCHEMBL13975120 0.89 PPM1A (0.44) PPM1AKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL13975113 0.86 KIF11 (0.46) KDM4EALDH1A1HPGDPIM1CYP1A2
SCHEMBL13966278 0.86 TRPV4 (0.39) TRPA1PPM1AGPR3TRPV4CYP1A2
SCHEMBL13975971 0.82 ACP1 (0.47) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL13975869 0.81 TRPA1 (0.49) TRPA1PPM1ATRPV4PLA2G2AKDM4E
SCHEMBL13975868 0.81 TRPA1 (0.46) TRPA1TRPV4KDM4EALDH1A1MAPT
SCHEMBL13976004 0.81 TRPV4 (0.41) TRPA1PPM1AGPR3TRPV4CYP1A2

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-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — 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-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 TRPA1 3785/4885PPM1A 3025/4885GPR3 2873/4885

“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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