SCHEMBL16039155

SCHEMBL16039155

CCCCc1ccccc1-c1c(C(=O)O)cccc1-c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.41
AGTR1 P30556 2/20 0.41
BRS3 P32247 9/20 0.41
PTPN11 Q06124 1/20 0.38

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
SCHEMBL16039157 0.78 DHODH (0.38) AGTR2AGTR1BRS3
SCHEMBL14918727 0.78 HNF4A (0.49)
SCHEMBL27892555 0.77 SMN1; SMN2 (0.45) PTPN11
SCHEMBL8674372 0.77 MYC (0.44) PTPN11
SCHEMBL14919171 0.76 MEN1 (0.51)
SCHEMBL16037019 0.75 ALDH1A1 (0.43)
SCHEMBL25181813 0.74 FOLH1 (0.53) AGTR2AGTR1BRS3PTPN11
SCHEMBL1535274 0.74 RAB9A (0.46) BRS3
SCHEMBL38662910 0.73 BID (0.52)
SCHEMBL3706715 0.73 BID (0.52)

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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS ELI LILLY AND COMPANY 2014-09-18 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-20140275049-A1 SUBSTITUTED PYRAZOLE ANALOGS As RAR ANTAGONISTS RARB, RARA, RARG AGTR2 377/4885AGTR1 270/4885BRS3 1388/4885

“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.