SCHEMBL3207023

SCHEMBL3207023

CCOC(=O)c1cc2ccccc2cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 1/20 0.51
CDC25B P30305 3/20 0.51
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOB P27338 2/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
MAOA P21397 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL8927648 0.88 TSHR (0.70) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL29389855 0.88 TSHR (0.70) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL10900936 0.84 TSHR (0.66) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL71222 0.84 TSHR (0.57) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL12123472 0.82 TSHR (0.55) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL30125169 0.81 KMT2A (0.67) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL3303791 0.81 KMT2A (0.67) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL11643946 0.81 ALDH1A1 (0.53) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL5256542 0.80 ALDH1A1 (0.65) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL11338215 0.79 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BKDM4E

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 TSHR 2268/4885ALDH1A1 2353/4885HSD17B10 913/4885

“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.