SCHEMBL12821229

SCHEMBL12821229

CCCC(O)C1CCC(c2ccc(/C=C/c3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32
▸ NAAA Q02083 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ TNFRSF1A P19438 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ KDM1A O60341 2/20 0.30
▸ LTB4R Q15722 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
SCHEMBL12716465 0.91 HRH3 (0.31) —
SCHEMBL12821276 0.90 TUBB1 (0.34) TUBB1FFAR1PPARGPPARDPPARA
SCHEMBL12716217 0.90 — —
SCHEMBL12718697 0.89 FPR2 (0.30) —
SCHEMBL12821231 0.88 CYP17A1 (0.33) —
SCHEMBL12718670 0.87 TUBB1 (0.37) TUBB1FFAR1PPARGPPARDPPARA
SCHEMBL12734452 0.85 TUBB1 (0.37) TUBB1FFAR1PPARGPPARDPPARA
SCHEMBL13586342 0.85 — —
SCHEMBL12734434 0.85 TUBB1 (0.35) TUBB1FFAR1PPARGPPARDPPARA
SCHEMBL12734450 0.85 TUBB1 (0.35) TUBB1FFAR1PPARGPPARDPPARA

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 TUBB1 664/4885FFAR1 247/4885PPARG 3918/4885

“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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