SCHEMBL19396754

SCHEMBL19396754

Brc1ccc2c3ccccc3c3ccc(Br)cc3c3c4ccccc4c4ccccc4c3c3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
BCL2 P10415 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AHR P35869 2/20 0.37
CDK2 P24941 3/20 0.37
CCNB2 O95067 2/20 0.37
CCNE2 O96020 2/20 0.37
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCNB1 P14635 2/20 0.37
CCND1 P24385 2/20 0.37
CCNE1 P24864 2/20 0.37
CCNB3 Q8WWL7 2/20 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
SCHEMBL13616027 0.98 BCL2 (0.44) MEN1KMT2ARXFP1BCL2CYP2A6
SCHEMBL19396968 0.98 BCL2 (0.44) MEN1KMT2ARXFP1BCL2CYP2A6
SCHEMBL13616023 0.98 BCL2 (0.44) MEN1KMT2ARXFP1BCL2CYP2A6
SCHEMBL13616029 0.98 BCL2 (0.44) MEN1KMT2ARXFP1BCL2CYP2A6
SCHEMBL13616024 0.98 BCL2 (0.44) MEN1KMT2ARXFP1BCL2CYP2A6
SCHEMBL21176157 0.98 MEN1 (0.47) MEN1KMT2ARXFP1BCL2CYP2A6
Triphenylene SCHEMBL1923284 0.90 MEN1 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL12580921 0.90 MEN1 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL21636087 0.90 MEN1 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1
SCHEMBL16076434 0.90 MEN1 (0.52) MEN1KMT2ARXFP1CYP2A6ALDH1A1

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-20170279050-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-09-28 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-20170279050-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESRRA, ESRRB, RCOR3 MEN1 3217/4885KMT2A 1593/4885RXFP1 576/4885

“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.