SCHEMBL10298044

SCHEMBL10298044

[C-]#[N+]CCC1(CCC#N)c2cc(C)ccc2-c2ccc(C(=O)CCCCC)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.34
▸ PTGS2 P35354 1/20 0.32
▸ HRH2 P25021 3/20 0.31
▸ HRH1 P35367 3/20 0.31
▸ GAA P10253 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL10008935 0.87 HSD17B3 (0.44) HSD17B3PTGS2HTR7S1PR5
SCHEMBL10298043 0.78 HSD17B3 (0.43) HSD17B3PTGS2GAATDP1L3MBTL1
SCHEMBL10298042 0.73 HSD17B3 (0.37) HSD17B3PTGS2HRH2HRH1GAA
SCHEMBL10008412 0.72 HSD17B3 (0.48) HSD17B3PTGS2HTR7S1PR5
SCHEMBL10010050 0.71 HSD17B3 (0.43) HSD17B3HRH2HRH1L3MBTL1
SCHEMBL18012830 0.70 HSD17B3 (0.50) HSD17B3PTGS2HTR7S1PR5
SCHEMBL28228075 0.69 HSD17B3 (0.47) HSD17B3TDP1L3MBTL1
SCHEMBL28228004 0.69 HSD17B3 (0.47) HSD17B3TDP1L3MBTL1
SCHEMBL10111020 0.68 GPR84 (0.46) TDP1
SCHEMBL16259336 0.67 CNR1 (0.33) L3MBTL1

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 3615/4885PTGS2 4715/4885HRH2 4866/4885

“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.

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