SCHEMBL742231

SCHEMBL742231

C=CC1CCC(C2CCC(c3ccc(C4CCC(CCC)CC4)cc3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
OPRL1 P41146 16/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL739328 1.00 CYP2C9 (0.39) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL12975822 0.96 CYP2C9 (0.41) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL12975909 0.95 CYP2C9 (0.43) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL12975978 0.95 CYP2C9 (0.43) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL729791 0.92 OPRL1 (0.36) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL12975881 0.91 OPRL1 (0.34) OPRL1
SCHEMBL12975535 0.91 OPRL1 (0.34) OPRL1
SCHEMBL16789603 0.90 CYP2C9 (0.46) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL16789602 0.90 CYP2C9 (0.46) CYP2C9OPRL1ALDH1A1LMNAMAPT
SCHEMBL13604912 0.87 OPRL1 (0.35) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279990-B1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
EP-2279990-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-02 EP disclosed
WO-2009145101-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-03 WO 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-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ROCK1, ROCK2, LEF1 CYP2C9 2320/4885OPRL1 3448/4885ALDH1A1 665/4885

“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.