SCHEMBL12740944

SCHEMBL12740944

COc1ccc(OCc2ccc(-c3ccc(-c4ccc(CO)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
FYN P06241 3/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SMPD1 P17405 2/20 0.38
APP P05067 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.38
ERN1 O75460 2/20 0.37
MGAM O43451 1/20 0.37

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
SCHEMBL12736497 1.00 MRGPRX4 (0.47) MRGPRX4FYNNPC1POLBRAB9A
SCHEMBL10303157 0.94 MRGPRX4 (0.48) MRGPRX4FFAR4FFAR1MAPTKDM4E
SCHEMBL10302194 0.91 MRGPRX4 (0.44) MRGPRX4FYNNPC1POLBRAB9A
SCHEMBL10303098 0.90 MRGPRX4 (0.45) MRGPRX4NPC1RAB9AFFAR4FFAR1
SCHEMBL12740945 0.90 S1PR1 (0.43) MRGPRX4FYNNPC1POLBRAB9A
SCHEMBL12736494 0.90 S1PR1 (0.43) MRGPRX4FYNNPC1POLBRAB9A
SCHEMBL12736530 0.90 CYP17A1 (0.48) MRGPRX4FYNNPC1POLBRAB9A
SCHEMBL10302274 0.89 LMNA (0.44) MRGPRX4FYNNPC1POLBRAB9A
SCHEMBL12823589 0.89 SYK (0.46) MRGPRX4NPC1RAB9AFFAR1MAPT
SCHEMBL12740935 0.89 MRGPRX4 (0.44) MRGPRX4NPC1RAB9AFFAR4FFAR1

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 MRGPRX4 4357/4885FYN 211/4885NPC1 1631/4885

“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.