SCHEMBL16509357

SCHEMBL16509357

Cc1cc(C(=O)O)ccc1OCF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MRGPRX4 Q96LA9 8/20 0.52
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MYC P01106 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL27386021 0.87 THRA (0.51) TSHRMRGPRX4RAB9ALMNAMAPK1
SCHEMBL30962301 0.87 THRA (0.51) TSHRMRGPRX4RAB9ALMNAMAPK1
SCHEMBL9623925 0.86 POLB (0.55) TSHRMRGPRX4CA12CA1CA2
SCHEMBL18700924 0.85 TSHR (0.59) TSHRMRGPRX4RAB9ALMNAMAPK1
SCHEMBL701512 0.84 TSHR (0.68) TSHRMRGPRX4RAB9ALMNACA12
SCHEMBL17908113 0.83 PPARD (0.52) TSHRMRGPRX4CA12CA1CA2
SCHEMBL19422125 0.83 TSHR (0.76) TSHRMRGPRX4RAB9ALMNAMAPK1
SCHEMBL15350466 0.82 MRGPRX4 (0.53) TSHRMRGPRX4RXRAALDH1A1
SCHEMBL2713307 0.82 MRGPRX4 (0.49) TSHRMRGPRX4RAB9ALMNAMAPK1
SCHEMBL12492247 0.81 THRA (0.56) TSHRMRGPRX4ALDH1A1

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-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 TSHR 1172/4885MRGPRX4 2577/4885RAB9A 1457/4885

“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.