SCHEMBL3335445

SCHEMBL3335445

COC(=O)Cc1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.63
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
LTA4H P09960 3/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PPARG P37231 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LTB4R Q15722 2/20 0.52
LTB4R2 Q9NPC1 2/20 0.52
MAPT P10636 1/20 0.52
ALOX5 P09917 1/20 0.50

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
SCHEMBL16511748 0.94 LTB4R (0.57) FFAR1CYP4F2CYP4A11LTA4HNPC1
SCHEMBL12688084 0.91 FFAR1 (0.65) FFAR1CYP4F2CYP4A11LTA4HMEN1
SCHEMBL16499178 0.88 CYP4F2 (0.57) FFAR1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL1745250 0.88 FFAR1 (0.72) FFAR1LTA4HNPC1RAB9APPARG
SCHEMBL9206351 0.87 ALOX5 (0.56) FFAR1CYP4F2CYP4A11LTA4HNPC1
SCHEMBL8427671 0.85 CYP4F2 (0.70) FFAR1CYP4F2CYP4A11KMT2AMAPT
SCHEMBL9826020 0.84 FFAR1 (0.67) FFAR1LTA4HNPC1RAB9APPARG
SCHEMBL392863 0.84 ALOX5 (0.66) FFAR1NPC1RAB9ALTB4RLTB4R2
SCHEMBL3105018 0.84 LTA4H (0.52) LTA4HNPC1RAB9APPARGMEN1
SCHEMBL3334872 0.84 FFAR1 (0.76) FFAR1CYP4F2CYP4A11LTA4HNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8758767-B2 Antigens targeted by prevalent pathogennic T cells in type 1 diabetes and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-06-24 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators ASTRAZENECA AB (SE) 2010-06-10 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-20100144710-A1 Piperazine and Piperidine MGLUR5 Potentiators GRM5, GRM1, GRM2 FFAR1 326/4885CYP4F2 2224/4885CYP4A11 3474/4885

“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.