SCHEMBL12736639

SCHEMBL12736639

COc1ccc(C2CCC(OCc3ccc(C4CCC(CO)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.37
ESR1 P03372 6/20 0.36
ESR2 Q92731 6/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
KDM1A O60341 2/20 0.36
DRD4 P21917 5/20 0.34
SIGMAR1 Q99720 5/20 0.34
CYP2D6 P10635 1/20 0.34
TMEM97 Q5BJF2 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL12736640 0.91 KDM1A (0.40) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL12736631 0.91 NAAA (0.38) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL12821325 0.90 NAAA (0.39) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL12736602 0.90 ESR1 (0.34) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL12740209 0.90 ESR1 (0.34) NAAAESR1ESR2CYP3A4CYP2C9
SCHEMBL12733715 0.89 KDM1A (0.44) ESR1ESR2CYP3A4CYP2C9KDM1A
SCHEMBL12736632 0.87 NAAA (0.35) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL10302610 0.87 NAAA (0.41) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL10303227 0.86 NAAA (0.44) NAAAKDM1ADRD4SIGMAR1TMEM97
SCHEMBL12734953 0.86 KDM1A (0.37) ESR1ESR2CYP3A4CYP2C9KDM1A

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 NAAA 3997/4885ESR1 1665/4885ESR2 1733/4885

“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.