SCHEMBL16669732

SCHEMBL16669732

CCOC(COc1ccc(C2=C(C(=O)O)C2)cc1)OCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.37
SRD5A2 P31213 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
FFAR1 O14842 1/20 0.37
RARB P10826 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PLA2G4B P0C869 2/20 0.36
ALPL P05186 1/20 0.36
TARBP2 Q15633 1/20 0.36
PPARD Q03181 2/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL2983617 0.78 PLA2G4B (0.57) SRD5A2NR1H4RARBNPC1RAB9A
SCHEMBL16519363 0.77 NQO1 (0.46) NPC1RAB9A
SCHEMBL1602489 0.75 RAB9A (0.47) PPARANPC1RAB9APPARDPPARG
SCHEMBL1465494 0.74 KMT2A (0.57) PPARANR1H4FFAR1
SCHEMBL14984814 0.73 LTA4H (0.50)
SCHEMBL9856614 0.73 SLC6A3 (0.53) NPC1RAB9AALPL
SCHEMBL7442362 0.73 PLA2G4B (0.49) PPARAFFAR1PLA2G4B
SCHEMBL16669733 0.72 PPARA (0.39) PPARAFFAR1PLA2G4BPPARDPPARG
SCHEMBL103360 0.72 MAPT (0.65) RAB9A
SCHEMBL17400969 0.72 NQO1 (0.61) NPC1RAB9A

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
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-11-17 US disclosed
US-20150119441-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2015-04-30 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 (2 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-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PPARA 761/4885SRD5A2 3434/4885NR1H4 101/4885
US-20150119441-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 PPARA 761/4885SRD5A2 3434/4885NR1H4 101/4885

“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.