SCHEMBL16738481

SCHEMBL16738481

CC(C)(C)/C(=C\C(=O)O)c1cc(Cl)c(O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.41
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL16738521 0.81 ALDH1A1 (0.34)
SCHEMBL1219448 0.80 TSHR (0.55) TSHRHPGDCASP1SMN1; SMN2NR1H4
SCHEMBL30061803 0.72 TSHR (0.56) HSP90AA1TSHRHPGDHSD17B10CASP1
SCHEMBL2478971 0.72 TSHR (0.56) HSP90AA1TSHRHPGDHSD17B10CASP1
SCHEMBL11046242 0.69 TSHR (0.55) HSP90AA1TSHRHPGDHSD17B10CASP1
SCHEMBL6373522 0.67 KDM4E (0.40) HPGDHSD17B10SMN1; SMN2CA2
SCHEMBL14034212 0.67 PARP1 (0.49) HPGDSMN1; SMN2
SCHEMBL2650105 0.66 GAA (0.50) HSP90AA1TSHRHPGDHSD17B10SMN1; SMN2
Water SCHEMBL10748471 0.66 TSHR (0.44) HSP90AA1TSHRHPGDHSD17B10CASP1
SCHEMBL16738482 0.66 HPGD (0.36) TSHRHPGDHSD17B10CA1CA2

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 HSP90AA1 4772/4885TSHR 6/4885HPGD 4508/4885

“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.