SCHEMBL13677516

SCHEMBL13677516

BrCc1ccc(CBr)c2c1C1c3ccccc3C2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.35
HTR2C P28335 5/20 0.34
HTR2B P41595 4/20 0.34
HTR2A P28223 7/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13434364 0.82 HTR2C (0.35) MEN1KMT2AGAAHTR2CHTR2B
SCHEMBL13617006 0.81 HTR2C (0.37) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL13434362 0.77 GAA (0.42) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL13677517 0.75 KDM4E (0.34) KDM4E
SCHEMBL13677450 0.71 HTR2A (0.33) HTR2A
SCHEMBL29382225 0.67 TSHR (0.50) ALDH1A1TRPA1TSHR
SCHEMBL28289 0.67 TSHR (0.50) ALDH1A1TRPA1TSHR
SCHEMBL6156070 0.66 L3MBTL1 (0.37) MEN1KMT2AGAAHTR2A
SCHEMBL8715922 0.66 HTR2A (0.42) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL29490140 0.66 MEN1 (0.53) MEN1KMT2AGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116528-B1 Method of preparing derivatives of poly(arylene vinylene) and method of preparing an electronic device including same IMEC (BE) 2016-01-06 EP disclosed
US-20090246532-A1 POLYIPTYCENYLENE VINYLENE AND METHOD OF MAKING THE SAME INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (BE) 2009-10-01 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-20090246532-A1 POLYIPTYCENYLENE VINYLENE AND METHOD OF MAKING THE SAME PPOX, VIPR2, VIPR1 MEN1 1995/4885KMT2A 3271/4885GAA 4112/4885

“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.