SCHEMBL13263124

SCHEMBL13263124

Fc1cc(-c2ccccc2)ccc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PTGS2 P35354 1/20 0.41
SLC6A9 P48067 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
OPRL1 P41146 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CAMKK1 Q8N5S9 3/20 0.39
CAMKK2 Q96RR4 3/20 0.39
PTPN5 P54829 2/20 0.39
PTPN2 P17706 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
FAAH O00519 2/20 0.38
MGLL Q99685 1/20 0.38
ADCY8 P40145 1/20 0.38
ADCY1 Q08828 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
SCHEMBL18411525 0.86 HSP90AA1 (0.44) PTGDRPTGDR2OPRL1S1PR4S1PR1
SCHEMBL27537246 0.84 SLC6A9 (0.46) PTGDRPTGDR2PTGS2SLC6A9POLB
SCHEMBL10091179 0.83 DGAT1 (0.37) FFAR4HSD17B1HSD17B2
SCHEMBL11763790 0.81 PTGS2 (0.49) PTGDRPTGDR2PTGS2SLC6A9POLB
SCHEMBL14271037 0.80 HSD17B1 (0.34) OPRL1FFAR4HSD17B1HSD17B2
SCHEMBL18568795 0.79 S1PR1 (0.39) PTGDRPTGDR2OPRL1FFAR4S1PR4
SCHEMBL18458712 0.79 ESR2 (0.42) PTGDRPTGDR2PTGS2OPRL1FFAR4
SCHEMBL18854996 0.79 S1PR1 (0.39) PTGDRPTGDR2OPRL1FFAR4S1PR4
SCHEMBL18458513 0.78 CYP3A4 (0.57) FFAR4S1PR1S1PR5
SCHEMBL18411545 0.78 CYP3A4 (0.57) FFAR4S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171439-A1 Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2014-06-19 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20140171439-A1 Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 PTGDR 3978/4885PTGDR2 4212/4885PTGS2 3206/4885

“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.