SCHEMBL707877

SCHEMBL707877

CCOc1ccc(CO)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
CREBBP Q92793 1/20 0.35

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
Methoxymethane SCHEMBL28378286 0.96 S1PR1 (0.37) S1PR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10009328 0.93 CTSS (0.40) S1PR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL28374086 0.85 FFAR4 (0.38) S1PR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL16957186 0.85 ALDH1A1 (0.45) S1PR1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL10383011 0.83 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5110161 0.83 KDM4E (0.38) S1PR1CYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL17527769 0.82 L3MBTL1 (0.48) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL17637432 0.82 KDM4E (0.39) S1PR1L3MBTL1ALDH1A1MAPTTP53
SCHEMBL10302195 0.82 FFAR4 (0.38) S1PR1ALDH1A1MAPTTP53POLB
SCHEMBL11894509 0.82 FFAR4 (0.47) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109370609-B Liquid crystal composition for VA-LCD (vertical alignment-liquid Crystal display) with low threshold, low power consumption, low viscosity and quick response 河北迈尔斯通电子材料有限公司 2022-10-11 CN disclosed
US-8124196-B2 Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2010-09-16 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-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF AFF2, FPR2, SLCO1A2 S1PR1 221/4885L3MBTL1 3789/4885CYP1A2 130/4885

“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.