SCHEMBL12907646

SCHEMBL12907646

CCc1ccc(CCC2CCC(c3ccc(C4CO4)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ OPRL1 P41146 12/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ KLKB1 P03952 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
SCHEMBL12994320 0.93 OPRL1 (0.33) HTR2AHTR2COPRL1CYP2C9RORC
SCHEMBL12908096 0.91 OPRL1 (0.37) HTR2AHTR2COPRL1
SCHEMBL12716343 0.90 CYP2C9 (0.36) HTR2AHTR2COPRL1CYP2C9ALDH1A1
SCHEMBL12822759 0.90 OPRL1 (0.33) HTR2AHTR2COPRL1
SCHEMBL12908084 0.86 OPRL1 (0.30) OPRL1
SCHEMBL13586537 0.86 OPRL1 (0.35) HTR2AOPRL1
SCHEMBL12906891 0.85 OPRL1 (0.32) HTR2AHTR2COPRL1
SCHEMBL12994764 0.84 OPRL1 (0.37) HTR2AHTR2COPRL1
SCHEMBL12994468 0.84 OPRL1 (0.30) OPRL1
SCHEMBL13586539 0.84 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 HTR2A 1823/4885HTR2C 770/4885OPRL1 2046/4885

“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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