SCHEMBL16210297

SCHEMBL16210297

Cc1ccc(OCc2ccc(B(O)O)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.53
LPL P06858 3/20 0.43
LIPG Q9Y5X9 3/20 0.43
ENPP2 Q13822 2/20 0.43
CA2 P00918 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
RECQL P46063 2/20 0.40
LIPE Q05469 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
GAA P10253 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL26434787 0.86 MRGPRX4 (0.58) MRGPRX4NPC1RAB9ACYP1A2CYP2C19
SCHEMBL2554083 0.85 NR3C2 (0.44) ENPP2LIPEALDH1A1S1PR5FFAR4
SCHEMBL2561404 0.85 MRGPRX4 (0.51) MRGPRX4LPLLIPGENPP2CA2
SCHEMBL15588794 0.83 MRGPRX4 (0.56) MRGPRX4NPC1RAB9ALMNAALDH1A1
SCHEMBL2554884 0.82 ENPP2 (0.59) MRGPRX4LPLLIPGENPP2CA2
SCHEMBL2558238 0.82 ALDH1A1 (0.48) LPLLIPGENPP2CA2NPC1
SCHEMBL16210864 0.80 MRGPRX4 (0.53) MRGPRX4NPC1RAB9ACYP1A2CYP2C19
SCHEMBL10269467 0.80 ENPP2 (0.44) MRGPRX4ENPP2LMNAHTTFFAR4
SCHEMBL171841 0.80 MRGPRX4 (0.68) MRGPRX4LIPEMAPTPTGER1S1PR5
SCHEMBL2560524 0.79 ENPP2 (0.52) MRGPRX4LPLLIPGENPP2CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-9079836-B2 Compound having 2-fluorophenyloxymethane structure, a method for preparing the same, a liquid crystal composition and a liquid crystal device DIC CORPORATION (JP) 2015-07-14 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 US disclosed
US-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2014-11-06 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-20140330045-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE INF2, CFL1, CFD MRGPRX4 2277/4885LPL 2489/4885LIPG 3202/4885

“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.