SCHEMBL10008935

SCHEMBL10008935

CCCCCC(=O)c1ccc2c(c1)C(CCC#N)(CCC#N)c1cc(C(=O)CCCCC)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.44
▸ HTR7 P34969 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ STS P08842 4/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ HTT P42858 1/20 0.35

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
SCHEMBL10298044 0.87 HSD17B3 (0.34) HSD17B3HTR7PTGS2S1PR5
SCHEMBL10008412 0.83 HSD17B3 (0.48) HSD17B3HTR7PTGS2STSS1PR5
SCHEMBL18012830 0.81 HSD17B3 (0.50) HSD17B3HTR7PTGS2STSS1PR5
SCHEMBL28228004 0.80 HSD17B3 (0.47) HSD17B3STSHTT
SCHEMBL28228075 0.80 HSD17B3 (0.47) HSD17B3STSHTT
SCHEMBL10010050 0.79 HSD17B3 (0.43) HSD17B3STS
SCHEMBL10298043 0.78 HSD17B3 (0.43) HSD17B3HTR7PTGS2S1PR5MMP2
SCHEMBL28312900 0.75 HSD17B3 (0.44) HSD17B3HTR7PTGS2STSS1PR5
SCHEMBL23805907 0.74 APEX1 (0.47) HSD17B3HTR7
SCHEMBL7220363 0.74 HSD17B3 (0.49) HSD17B3HTR7

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-8854730-B2 Negatively birefringent polyesters and optical films 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-07 — — US disclosed
US-20120170118-A1 NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS 3M INNOVATIVE PROPERTIES COMPANY 2012-07-05 — — 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-20120170118-A1 NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS PUF60, PARG, PARN HSD17B3 3615/4885HTR7 3396/4885PTGS2 4715/4885

“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.

Send feedback