SCHEMBL3550795

SCHEMBL3550795

Nc1ccc(OCCOc2ccccc2CCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.51
DHFR P00374 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LTB4R Q15722 3/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR4 Q5NUL3 3/20 0.45
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL3565063 0.86 ALDH1A1 (0.49) NPC1RAB9APPARDALDH1A1MEN1
SCHEMBL17413764 0.85 FFAR1 (0.57) FFAR1DHFRLTB4RLTB4R2PPARD
SCHEMBL17413766 0.84 LTB4R (0.60) FFAR1DHFRLTB4RLTB4R2PPARD
SCHEMBL3559584 0.82 MAPT (0.57) FFAR1NPC1RAB9AALDH1A1MEN1
SCHEMBL8072582 0.80 LTB4R (0.64) DHFRLTB4RLTB4R2PPARDPPARG
SCHEMBL8653051 0.80 PPARD (0.58) NPC1RAB9ALTB4RLTB4R2PPARD
SCHEMBL8285810 0.79 LTB4R (0.57) FFAR1DHFRLTB4RLTB4R2PPARD
SCHEMBL3555186 0.79 NPC1 (0.51) FFAR1DHFRNPC1RAB9ALTB4R
SCHEMBL3560769 0.78 AR (0.52) FFAR1DHFRLTB4RLTB4R2PPARD
SCHEMBL3554982 0.78 TDP1 (0.59) ALDH1A1MEN1KMT2ALMNA

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 FFAR1 22/4885DHFR 488/4885NPC1 2684/4885

“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.