SCHEMBL12734145

SCHEMBL12734145

CCCCCC1CCC(c2ccc(/C=C/C3CCC(c4ccc(OC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 8/20 0.34
▸ FFAR1 O14842 9/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ HTR2A P28223 1/20 0.31
▸ USP30 Q70CQ3 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
SCHEMBL12739093 0.94 CYP1A1 (0.38) OPRL1FFAR1CYP1A1CYP1A2CYP1B1
SCHEMBL12734152 0.92 OPRL1 (0.32) OPRL1
SCHEMBL12734141 0.89 CYP1A2 (0.35) OPRL1FFAR1CYP1A1CYP1A2CYP1B1
SCHEMBL12734020 0.86 MAPT (0.31) —
SCHEMBL12738982 0.86 MAPT (0.31) —
SCHEMBL12734161 0.86 FFAR1 (0.35) OPRL1FFAR1CYP1A1CYP1A2CYP1B1
SCHEMBL12739107 0.86 KDM4E (0.31) —
SCHEMBL10301833 0.86 HTR2A (0.35) CYP1A1CYP1A2CYP1B1HTR2A
SCHEMBL19722481 0.85 OPRL1 (0.41) OPRL1FFAR1HTR2A
SCHEMBL12734148 0.85 OPRL1 (0.33) OPRL1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
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 OPRL1 2073/4885FFAR1 247/4885CYP1A1 857/4885

“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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