SCHEMBL17183151

SCHEMBL17183151

O=C(c1ccccc1)c1ccc(CCCCCCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SRD5A2 P31213 2/20 0.48
PPARG P37231 1/20 0.48
RARB P10826 4/20 0.46
DPP4 P27487 1/20 0.46

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
SCHEMBL17183156 0.98 HDAC1 (0.53) HDAC1THRATHRBALDH1A1MAPT
SCHEMBL9125569 0.95 ALDH1A1 (0.52) HDAC1THRATHRBALDH1A1MAPT
SCHEMBL28251464 0.93 HDAC1 (0.62) HDAC1ALDH1A1MAPTRXFP1HDAC8
SCHEMBL5433433 0.87 TDP1 (0.58) HDAC1ALDH1A1MAPTCES2CES1
SCHEMBL27786791 0.87 THRA (0.50) HDAC1THRATHRBMAPTHDAC8
SCHEMBL14772981 0.86 CYP4A11 (0.56) HDAC1ALDH1A1MAPTRXFP1HDAC8
SCHEMBL23014696 0.84 RARB (0.66) THRATHRBALDH1A1MAPTTDP1
SCHEMBL11239422 0.84 RARB (0.66) THRATHRBALDH1A1MAPTTDP1
SCHEMBL17183142 0.84 HDAC1 (0.54) HDAC1THRATHRBALDH1A1MAPT
SCHEMBL5539425 0.84 HDAC1 (0.54) HDAC1THRATHRBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961401-B2 UV cured benzophenone terminated quaternary ammonium antimicrobials for surfaces NANO SAFE COATINGS INCORPORATED (US) 2021-03-30 US disclosed
EP-2931702-B1 UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES NANO SAFE COATINGS INCORPORATED (US) 2019-02-20 EP disclosed
US-20180127598-A1 UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES NANO SAFE COATINGS, LLC 2018-05-10 US disclosed
US-20150299475-A1 UV CURED BENZOPHENONE TERMINATED QUARTERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES BIOSHIELD TECHNOLOGIES CANADA LIMITED (CA) 2015-10-22 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 (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-10961401-B2 UV cured benzophenone terminated quaternary ammonium antimicrobials for surfaces AAAS, UBE2M, UBE2I HDAC1 247/4885THRA 4547/4885THRB 4685/4885
US-20150299475-A1 UV CURED BENZOPHENONE TERMINATED QUARTERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES UBE2I, PHB1, AAAS HDAC1 328/4885THRA 4634/4885THRB 4712/4885
US-20180127598-A1 UV CURED BENZOPHENONE TERMINATED QUATERNARY AMMONIUM ANTIMICROBIALS FOR SURFACES AAAS, UBE2M, UBE2I HDAC1 247/4885THRA 4547/4885THRB 4685/4885

“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.