SCHEMBL16738482

SCHEMBL16738482

CC(C)(C)C(=Cc1cc(Cl)c(O)cc1Cl)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 13/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
PREP P48147 1/20 0.30
DPP9 Q86TI2 1/20 0.30
MCL1 Q07820 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL16738523 0.85 ALDH1A1 (0.35) NPC1RAB9A
SCHEMBL1219449 0.81 GABRA1 (0.47) HPGDTSHRNPC1RAB9A
SCHEMBL6373525 0.68 ERN1 (0.39) CA2
SCHEMBL2477598 0.67 CA1 (0.48) HPGDTSHRHSD17B10DPP4CA2
SCHEMBL2477599 0.67 CA1 (0.48) HPGDTSHRHSD17B10DPP4CA2
SCHEMBL27976640 0.67 EGFR (0.53) HPGDTSHRHSD17B10DPP4CA2
SCHEMBL3377931 0.67 ERN1 (0.54) HPGDTSHRHSD17B10NPC1RAB9A
SCHEMBL13303891 0.66 DPP4 (0.42) HPGDHSD17B10DPP4CYP1A1CYP1B1
SCHEMBL16738481 0.66 HSP90AA1 (0.41) HPGDTSHRHSD17B10CA2CA1
SCHEMBL10884046 0.65 AKR1C3 (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR HPGD 4508/4885TSHR 6/4885HSD17B10 3131/4885

“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.