SCHEMBL3532812

SCHEMBL3532812

OCCCc1ccc(Sc2ccc(CCCO)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
GPR84 Q9NQS5 1/20 0.41
NOTUM Q6P988 1/20 0.36
DAO P14920 1/20 0.36
S1PR1 P21453 2/20 0.35
IDO1 P14902 2/20 0.35
KIF11 P52732 1/20 0.35
CA2 P00918 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
PPARA Q07869 1/20 0.33
CYP4A11 Q02928 1/20 0.33
IGF1R P08069 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL8443136 0.81 GPR84 (0.58) GPR84NOTUMS1PR1IDO1TRPV1
SCHEMBL3532064 0.81 GLA (0.42) GPR84NOTUMDAOS1PR1KIF11
SCHEMBL81056 0.79 NR3C2 (0.47) GPR84KIF11FFAR4
SCHEMBL3534750 0.78 FFAR1 (0.50) FFAR4
SCHEMBL79124 0.76 KIF11 (0.56) GPR84NOTUMDAOKIF11CA2
SCHEMBL584598 0.75 DAO (0.50) GPR84NOTUMDAOIDO1KIF11
SCHEMBL16954842 0.74 AR (0.51)
SCHEMBL3533344 0.74 KDM4E (0.36) GPR84DAOS1PR1IDO1CA2
SCHEMBL5722021 0.70 TRPV1 (0.58) GPR84NOTUMS1PR1IDO1TRPV1
SCHEMBL3491800 0.69 KIF11 (0.44) SLC6A2SLC6A4S1PR1IDO1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD SLC6A2 4733/4885SLC6A4 4374/4885GPR84 319/4885

“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.