SCHEMBL546799

SCHEMBL546799

Cc1cc2c(cc1Br)Cc1cc(Br)c(C)cc1-2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
PGR P06401 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21132350 0.86 PGR (0.49) PGRHTR2CHTR2ANPC1MAPT
SCHEMBL22685047 0.82 BCHE (0.33) BCHECES1
SCHEMBL546567 0.80 ALDH1A1 (0.34) PGRL3MBTL1NPC1MAPTRAB9A
SCHEMBL22482603 0.79 BCHE (0.36) BCHECES1L3MBTL1MAPT
SCHEMBL10917281 0.78 HTT (0.39) PGRPOLBNPC1MAPTRAB9A
SCHEMBL29633536 0.78 HTT (0.39) PGRPOLBNPC1MAPTRAB9A
SCHEMBL28646265 0.75 PGR (0.33) PGRNPC1MAPTRAB9A
SCHEMBL15695603 0.75 CYP3A4 (0.48) POLBNPC1MAPTRAB9A
SCHEMBL312024 0.75 MAPT (0.33) MAPT
SCHEMBL2963564 0.73 BCHE (0.35) BCHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929347-B2 Polymer compound and light emitting element using same SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2018-03-27 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 US disclosed
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-30 US disclosed
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-30 US disclosed
US-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
US-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-08-21 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 (3 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-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME LEF1, FMNL1, AFF1 BCHE 4072/4885CES1 2887/4885PGR 3501/4885
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, CCNL2, CRKL BCHE 4613/4885CES1 2747/4885PGR 2506/4885
US-20150115204-A1 POLYMER COMPOUND AND LIGHT EMITTING ELEMENT USING SAME NAP1L4, AHR, NR0B1 BCHE 4524/4885CES1 4030/4885PGR 249/4885

“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.