SCHEMBL3207748

SCHEMBL3207748

COCc1ccc(F)cc1Cl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A4 P31645 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 1/20 0.38
P2RX7 Q99572 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 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
SCHEMBL17071869 0.93 L3MBTL1 (0.47) L3MBTL1POLBALDH1A1ALOX15NPSR1
SCHEMBL3221093 0.82 IDO1 (0.56) L3MBTL1ALDH1A1HTTMAPTCYP1A2
SCHEMBL13756277 0.79 RAB9A (0.40) L3MBTL1POLBALDH1A1ALOX15NPSR1
SCHEMBL16141987 0.78 HTR2A (0.42) SLC6A4HTR2CP2RX7SLC6A2SLC6A3
SCHEMBL3222389 0.77 IDO1 (0.52) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL10572077 0.75 L3MBTL1 (0.45) L3MBTL1POLBALDH1A1ALOX15NPSR1
SCHEMBL1520757 0.74 IDO1 (0.66) L3MBTL1POLBALDH1A1ALOX15NPSR1
SCHEMBL17069255 0.74 L3MBTL1 (0.44) L3MBTL1POLBALDH1A1ALOX15NPSR1
SCHEMBL1989192 0.74 IDO1 (0.64) L3MBTL1ALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL706473 0.74 IDO1 (0.64) POLBALDH1A1SMN1; SMN2MAPTTDP1

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
US-8273885-B2 Fluoroboron compound having aromatic ring or salt thereof, and method for producing compound having cyclic ether-fused aromatic ring using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-25 US disclosed
US-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 US disclosed
EP-2062901-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING BY USING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-05-27 EP 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-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME FLI1, AFF1, MLLT3 L3MBTL1 1224/4885POLB 1669/4885ALDH1A1 2353/4885

“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.