SCHEMBL1704200

SCHEMBL1704200

CCCCc1ccc(O)c(-c2ccc(O)c(CCCC)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.77
GABRA1 P14867 7/20 0.58
GABRB2 P47870 7/20 0.58
CNR2 P34972 4/20 0.54
CNR1 P21554 3/20 0.54
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
GABRB1 P18505 1/20 0.50
RXRA P19793 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
KMT2A Q03164 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
BACE1 P56817 2/20 0.48
NPC1 O15118 1/20 0.46
HPGD P15428 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
SCHEMBL12319404 0.87 ALOX5 (1.00) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL28653265 0.87 CNR1 (0.61) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL1024663 0.85 HPGD (0.57) ALOX5CNR2CNR1BACE1NPC1
SCHEMBL9818748 0.84 ALOX5 (0.58) ALOX5GABRA1GABRB2CNR2CNR1
SCHEMBL28055345 0.83 HPGD (0.55) ALOX5CNR2CNR1BACE1NPC1
Phosphine SCHEMBL28136514 0.83 HPGD (0.55) ALOX5CNR2CNR1BACE1NPC1
SCHEMBL723543 0.83 CNR1 (0.77) ALOX5CNR2CNR1POLBNPC1
SCHEMBL30708512 0.83 TYR (0.55) ALOX5GABRA1GABRB2MEN1MAPT
SCHEMBL17709428 0.83 TYR (0.55) ALOX5GABRA1GABRB2MEN1MAPT
SCHEMBL29138357 0.83 BACE1 (0.69) ALOX5GABRA1GABRB2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170113989-A1 SYNTHESIS OF HONOKIOL COLGATE-PALMOLIVE COMPANY 2017-04-27 US disclosed
US-8425881-B2 Antibacterial 3′,5-disubstituted 2,4′-dihydroxybiphenyl compounds, derivatives and related methods COLGATE-PALMOLIVE COMPANY (US) 2013-04-23 US disclosed
EP-1863432-B1 Antiplaque 3',5-disubstituted 2,4'-dihydroxybiphenyl compounds and toothpaste composition COLGATE PALMOLIVE CO (US) 2012-04-18 EP disclosed
EP-1863432-A1 ANTIBACTERIAL 3',5-DISUBSTITUTED 2,4'-DIHYDROXYBIPHENYL COMPOUNDS, DERIVATIVES AND RELATED METHODS Colgate-Palmolive Company (US) 2007-12-12 EP disclosed
WO-2006101818-A1 ANTIBACTERIAL 3',5-DISUBSTITUTED 2,4'-DIHYDROXYBIPHENYL COMPOUNDS, DERIVATIVES AND RELATED METHODS COLGATE-PALMOLIVE COMPANY (US) 2006-09-28 WO disclosed
US-20060210489-A1 Antibacterial 3',5-disubstituted 2,4'-dihydroxybiphenyl compounds, derivatives and related methods COLGATE-PALMOLIVE 2006-09-21 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 (2 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-20170113989-A1 SYNTHESIS OF HONOKIOL UGT2B7, UGT1A7, DHCR7 ALOX5 374/4885GABRA1 395/4885GABRB2 320/4885
US-20060210489-A1 Antibacterial 3',5-disubstituted 2,4'-dihydroxybiphenyl compounds, derivatives and related methods DRD4, QDPR, TPD52L2 ALOX5 2265/4885GABRA1 4052/4885GABRB2 4101/4885

“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.