SCHEMBL13976004

SCHEMBL13976004

CC(C)Oc1nc2cc(F)ccc2c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.41
▸ TRPA1 O75762 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ PPM1A P35813 2/20 0.36
▸ IDH1 O75874 4/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ GPR139 Q6DWJ6 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL13966278 0.95 TRPV4 (0.39) TRPV4TRPA1GPR3PPM1AIDH1
SCHEMBL13966277 0.90 TRPV4 (0.39) TRPV4TRPA1GPR3PPM1AIDH1
SCHEMBL13966267 0.88 MAPT (0.41) PPM1AIDH1SCN10AGPR139SMN1; SMN2
SCHEMBL13975122 0.86 MAPT (0.44) LMNASMN1; SMN2
SCHEMBL13966266 0.86 MAPT (0.43) TRPV4TRPA1NPC1
SCHEMBL13975867 0.86 TRPV4 (0.43) TRPV4TRPA1GPR3PPM1ASCN10A
SCHEMBL13966268 0.85 KIF11 (0.43) IDH1SCN10ANPC1RAB9AGMNN
SCHEMBL13976005 0.81 TRPA1 (0.40) TRPV4TRPA1GPR3PPM1ASCN10A
SCHEMBL13975118 0.81 TRPV4 (0.43) TRPV4TRPA1GPR3PPM1ASCN10A
SCHEMBL13966275 0.80 HTR4 (0.36) PKMHTR4

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-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 TRPV4 2652/4885TRPA1 3785/4885GPR3 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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