SCHEMBL13995259

SCHEMBL13995259

CC1c2cc(Br)ccc2-c2ccc(Br)cc2C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.41
S100A4 P26447 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTPRC P08575 1/20 0.35
PBRM1 Q86U86 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2146997 0.85 PGR (0.53) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL1240051 0.77 S100A4 (0.42) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL13718931 0.76 PGR (0.47) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL21888240 0.76 MAPK1 (0.53) PGRS100A4HTR2AHTR2CSLC6A2
SCHEMBL3985404 0.75 S100A4 (0.41) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL2484200 0.75 S100A4 (0.41) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL1569377 0.75 DYRK1A (0.56) PGRS100A4HTR2BCA1CA2
SCHEMBL2484201 0.75 S100A4 (0.41) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL2484202 0.75 S100A4 (0.41) PGRS100A4HTR2AHTR2CHTR2B
SCHEMBL29485719 0.75 DYRK1A (0.56) PGRS100A4HTR2BCA1CA2

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
WO-2013100507-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed
US-7462683-B2 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-12-09 US disclosed
US-20070185306-A1 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2007-08-09 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-20070185306-A1 Dihalide, polymer compound and method for producing the same HSPA4L, HDHD5, MRPL21 PGR 1186/4885S100A4 2960/4885HTR2A 3126/4885

“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.