SCHEMBL3971856

SCHEMBL3971856

O=C1OC=CC1Oc1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SOS1 Q07889 1/20 0.30
HSPB1 P04792 1/20 0.30

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
SCHEMBL4503382 0.82 TDP1 (0.35) NPC1RAB9A
SCHEMBL3972509 0.81 CA1 (0.38) EPHX2
SCHEMBL4327315 0.78 DDB1 (0.41) NPC1RAB9A
SCHEMBL1533280 0.68 TDP1 (0.35)
SCHEMBL20034254 0.68 EPHX2 (0.36) ALOX5EPHX2SOS1HSPB1
SCHEMBL2313060 0.66
SCHEMBL3971854 0.63 SMN1; SMN2 (0.41) ALOX5EPHX2
SCHEMBL31587885 0.60 POLB (0.34) ALOX5
SCHEMBL6008271 0.60 PTGS1 (0.35) ALOX5EPHX2NPC1RAB9A
SCHEMBL2443161 0.59

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 ALOX5 345/4885EPHX2 2148/4885NPC1 207/4885

“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.