SCHEMBL3197724

SCHEMBL3197724

O=[C]Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX15 P16050 4/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ AKR1B1 P15121 1/20 0.31
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL9067066 0.75 TDP1 (0.36) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL9419408 0.75 TDP1 (0.36) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL3194376 0.72 SOD1 (0.38) —
SCHEMBL10467229 0.70 MAPK1 (0.58) TDP1TSHRALOX15ALOX12HSP90AA1
SCHEMBL3803700 0.69 TDP1 (0.45) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL27503034 0.67 TSHR (0.43) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL28973883 0.65 TDP1 (0.41) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL301662 0.65 HSD17B10 (0.59) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL3185584 0.65 CYP3A4 (0.41) HSD17B10TDP1CYP3A4TSHRALOX15
SCHEMBL23855075 0.65 HSD17B10 (0.48) HSD17B10TDP1CYP3A4TSHRALOX15

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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 — — US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 — — US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 — — 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 HSD17B10 2828/4885TDP1 2939/4885CYP3A4 4098/4885

“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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