SCHEMBL13922569

SCHEMBL13922569

C=CCCCCc1ccc(C2CC=C(c3ccc(CCCCCC)c(F)c3F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 0.39
▸ SPHK2 Q9NRA0 7/20 0.36
▸ THRA P10827 3/20 0.31
▸ THRB P10828 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13922695 0.91 SPHK1 (0.32) SPHK1
SCHEMBL13922568 0.87 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL12511262 0.85 SPHK1 (0.31) SPHK1
SCHEMBL13922694 0.85 CTSL (0.30) —
SCHEMBL13922580 0.82 SPHK1 (0.34) SPHK1SPHK2
SCHEMBL13922435 0.82 TSHR (0.30) —
SCHEMBL13378546 0.81 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL13922356 0.81 MEN1 (0.33) THRATHRBMEN1KMT2A
SCHEMBL13922355 0.81 MEN1 (0.33) THRATHRBMEN1KMT2A
SCHEMBL13922357 0.81 MEN1 (0.33) THRATHRBMEN1KMT2A

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-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 — — US disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 — — 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-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 SPHK1 3044/4885SPHK2 1947/4885THRA 1819/4885

“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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