SCHEMBL4011586

SCHEMBL4011586

FCCCc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
IDO1 P14902 2/20 0.43
GPR52 Q9Y2T5 1/20 0.39
TSHR P16473 2/20 0.37
CYP2A13 Q16696 1/20 0.36
PYCR1 P32322 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5040860 0.93 TAAR1 (0.59) TAAR1IDO1GPR52TSHRCYP2A13
SCHEMBL1458748 0.82 TAAR1 (0.75) TAAR1IDO1GPR52TSHR
SCHEMBL8589724 0.82 TAAR1 (0.52) TAAR1IDO1GPR52TSHRHSD17B10
SCHEMBL29351396 0.80 TAAR1 (0.71) TAAR1IDO1GPR52TSHRCYP2A13
SCHEMBL6738136 0.80 TAAR1 (0.71) TAAR1IDO1GPR52TSHRCYP2A13
SCHEMBL29653394 0.79 TAAR1 (0.58) TAAR1IDO1GPR52TSHRCYP2A13
SCHEMBL216838 0.79 TAAR1 (0.58) TAAR1IDO1GPR52TSHRCYP2A13
SCHEMBL23043471 0.78 TAAR1 (0.38) TAAR1TSHRCYP1A2HSD17B10
SCHEMBL2047663 0.77 TAAR1 (0.56) TAAR1IDO1GPR52TSHRCYP2A13
SCHEMBL8071390 0.77 TAAR1 (0.56) TAAR1IDO1GPR52TSHRCYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104602524-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-05-06 CN disclosed
CN-103826452-A Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC 2014-05-28 CN disclosed
US-7514127-B2 Dibenzofuran derivatives, dibenzothiophene derivatives and fluorene derivatives MERCK PATENT GMBH (DE) 2009-04-07 US disclosed
US-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives MERCK PATENT GMBH (DE) 2007-09-20 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-20070219380-A1 Dibenzofuran Derivatives, Dibenzothiophene Derivatives and Fluorene Derivatives ZYX, F3, YBX1 TAAR1 993/4885IDO1 551/4885GPR52 1832/4885

“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.