SCHEMBL4267088

SCHEMBL4267088

COc1ccc(C=C(Br)Br)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP1A2 P05177 10/20 0.43
CYP1A1 P04798 8/20 0.43
CYP1B1 Q16678 8/20 0.43
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
NFE2L2 Q16236 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 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
SCHEMBL28524970 0.80 TYR (0.62) ERN1TRIM24TYRTRIM33CYP1A2
SCHEMBL7192327 0.80 CYP1A2 (0.63) CYP1A2CYP1A1CYP1B1ALDH1A1MEN1
SCHEMBL3604055 0.79 TRIM24 (0.43) ERN1TRIM24TYRTRIM33CYP1A2
SCHEMBL26675937 0.79 ALDH1A1 (0.50) ERN1TRIM24TYRTRIM33CYP1A2
SCHEMBL16421968 0.76 ERN1 (0.44) ERN1TRIM24TYRTRIM33CYP1A2
Methyl Alcohol SCHEMBL27901508 0.76 TRIM24 (0.62) ERN1TRIM24TYRTRIM33CYP1A2
SCHEMBL6248063 0.76 ALDH1A1 (0.63) ERN1TRIM24TYRTRIM33CYP1A2
SCHEMBL8372481 0.76 CYP1A2 (0.47) ERN1TRIM24TYRTRIM33CYP1A2
SCHEMBL27995647 0.73 CYP1A2 (0.46) TRIM24TYRTRIM33CYP1A2CYP1A1
SCHEMBL6248938 0.71 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023939-A1 ALPHA-SUBSTITUTED VINYLTIN COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-22 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-20090023939-A1 ALPHA-SUBSTITUTED VINYLTIN COMPOUND TST, CCNT1, TMT1A ERN1 1947/4885TRIM24 2390/4885TYR 1347/4885

“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.