SCHEMBL11976231

SCHEMBL11976231

O=C(O)C1CCc2ccc(Oc3cccc(C(F)(F)F)c3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
FAAH O00519 8/20 0.45
BRAF P15056 7/20 0.45
RAF1 P04049 6/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
NOTUM Q6P988 1/20 0.43
GHSR Q92847 1/20 0.43

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
SCHEMBL31232515 0.93 BRAF (0.45) KIF11FAAHBRAFRAF1AKR1C3
SCHEMBL14378616 0.85 FFAR1 (0.52) FAAHAKR1C3AKR1C2
SCHEMBL31232630 0.85 BRAF (0.43) FAAHBRAFRAF1AKR1C3AKR1C2
SCHEMBL25026111 0.82 NOTUM (0.43) NOTUM
SCHEMBL30934635 0.82 NOTUM (0.43) NOTUM
SCHEMBL11976208 0.82 ADRB3 (0.52) FAAH
SCHEMBL31232502 0.82 FAAH (0.50) FAAH
SCHEMBL31232685 0.81 APOB (0.41) FAAHBRAFRAF1
SCHEMBL31232478 0.80 FAAH (0.49) FAAH
SCHEMBL31232712 0.80 FAAH (0.44) FAAH

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-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 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-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KIF11 2439/4885FAAH 3371/4885BRAF 2110/4885

“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.