SCHEMBL12736622

SCHEMBL12736622

CCc1ccc(C2CCC(OCc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.34
ESR2 Q92731 1/20 0.33
HTR1A P08908 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
FASN P49327 1/20 0.32
RORC P51449 1/20 0.32
NAAA Q02083 1/20 0.31
KLKB1 P03952 1/20 0.30
PANK3 Q9H999 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
SCHEMBL12736651 0.92 HTR1A (0.32) HCRTR2ESR2HTR1AKDM5AKDM4C
SCHEMBL12736580 0.89 HTR1A (0.36) HCRTR2ESR2HTR1A
SCHEMBL12740191 0.89 HTR1A (0.36) HCRTR2ESR2HTR1A
SCHEMBL12736628 0.89 CYP2C9 (0.37) HCRTR2HTR1AKDM5AKDM4CKDM5B
SCHEMBL12736641 0.89 KDM1A (0.42) HCRTR2ESR2HTR1ANAAA
SCHEMBL12716082 0.89 ESR2 (0.38) ESR2KDM5AKDM4CKDM5BFASN
SCHEMBL12740224 0.85 DRD4 (0.35) HCRTR2HTR1ANAAA
SCHEMBL12736642 0.85 NAAA (0.35) HTR1ANAAA
SCHEMBL12736644 0.84 NAAA (0.35) NAAA
SCHEMBL10302600 0.84 HCRTR2 (0.36) HCRTR2HTR1AKDM5AKDM4CKDM5B

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 5 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-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
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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HCRTR2 730/4885ESR2 1733/4885HTR1A 484/4885

“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.