SCHEMBL11155156

SCHEMBL11155156

CC[CH]c1c(Br)cc(Br)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ERN1 O75460 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ AHR P35869 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31

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
SCHEMBL11157913 0.83 CYP3A4 (0.33) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL9066388 0.77 HSD17B10 (0.32) CYP3A4TSHRTDP1
SCHEMBL18378116 0.74 GABRA1 (0.39) CYP3A4TSHRGABRA1GABRB2LMNA
SCHEMBL11155599 0.72 CYP3A4 (0.41) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL319632 0.72 CYP3A4 (0.41) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL18378295 0.69 ALOX15 (0.39) TSHRTDP1LMNAERN1AHR
SCHEMBL7077324 0.68 GFER (0.33) GFER
SCHEMBL9320354 0.67 HSD17B10 (0.36) CYP3A4TSHRTDP1LMNA
SCHEMBL3185596 0.67 ERN1 (0.50) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL13236291 0.67 CYP3A4 (0.41) CYP3A4TSHRTDP1GABRA1GABRB1

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
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — US disclosed
US-4403057-A Diester of 3,5,3',5'-tetrabromo-bisphenol A with halogenated aromatic carboxylic acid ASAHI-DOW LIMITED (JP) 1983-09-06 — — US disclosed
US-4301062-A Diester of 3,5,3',5'-tetrabromo-bisphenol A with halogenated aromatic carboxylic acid ASAHI DOW LIMITED (JP) 1981-11-17 — — 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP3A4 1029/4885TSHR 648/4885TDP1 3467/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP3A4 1029/4885TSHR 648/4885TDP1 3467/4885

“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.

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