SCHEMBL1704782

SCHEMBL1704782

COc1ccc(-c2cc(Br)ccc2OC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 3/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC9A1 P19634 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
GFER P55789 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL6496645 0.84 GAA (0.51) NPC1RAB9ATSHRMAPTMGAM
SCHEMBL10039354 0.82 NPC1 (0.48) NPC1RAB9ATSHRMAPTMGAM
SCHEMBL29697785 0.82 MAPT (0.56) NPC1RAB9ATSHRMAPTGAA
SCHEMBL14125145 0.82 GAA (0.56) NPC1RAB9ATSHRMAPTMGAM
SCHEMBL12326165 0.82 MAPT (0.56) NPC1RAB9ATSHRMAPTGAA
SCHEMBL811943 0.82 MAPK1 (0.65) TSHRMAPTALDH1A1MAPK1TDP1
SCHEMBL29697819 0.82 MAPK1 (0.65) TSHRMAPTALDH1A1MAPK1TDP1
SCHEMBL29634026 0.81 NPC1 (0.54) NPC1RAB9ATSHRMAPTMGAM
SCHEMBL28895392 0.81 GAA (0.53) NPC1RAB9ATSHRMAPTMGAM
SCHEMBL5691075 0.80 AMY1A (0.52) NPC1RAB9ATSHRMAPTMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3364957-B1 IMPROVED SYNTHESIS OF HONOKIOL COLGATE PALMOLIVE CO (US) 2020-12-09 EP disclosed
EP-3364957-B1 IMPROVED SYNTHESIS OF HONOKIOL COLGATE PALMOLIVE CO (US) 2020-12-09 EP disclosed
EP-3364957-A1 IMPROVED SYNTHESIS OF HONOKIOL Colgate-Palmolive Company (US) 2018-08-29 EP disclosed
US-10053406-B2 Synthesis of honokiol COLGATE-PALMOLIVE COMPANY (US) 2018-08-21 US disclosed
WO-2017070568-A1 IMPROVED SYNTHESIS OF HONOKIOL COLGATE-PALMOLIVE COMPANY (US) 2017-04-27 WO disclosed
WO-2017070568-A1 IMPROVED SYNTHESIS OF HONOKIOL COLGATE-PALMOLIVE COMPANY (US) 2017-04-27 WO disclosed
US-20170113989-A1 SYNTHESIS OF HONOKIOL COLGATE-PALMOLIVE COMPANY 2017-04-27 US disclosed
US-20170113989-A1 SYNTHESIS OF HONOKIOL COLGATE-PALMOLIVE COMPANY 2017-04-27 US disclosed
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
US-8425881-B2 Antibacterial 3′,5-disubstituted 2,4′-dihydroxybiphenyl compounds, derivatives and related methods COLGATE-PALMOLIVE COMPANY (US) 2013-04-23 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 (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-20170113989-A1 SYNTHESIS OF HONOKIOL UGT2B7, UGT1A7, DHCR7 NPC1 2039/4885RAB9A 4724/4885TSHR 3230/4885
US-10053406-B2 Synthesis of honokiol UGT2B7, UGT1A7, DHCR7 NPC1 2039/4885RAB9A 4724/4885TSHR 3230/4885
US-20060210489-A1 Antibacterial 3',5-disubstituted 2,4'-dihydroxybiphenyl compounds, derivatives and related methods DRD4, QDPR, TPD52L2 NPC1 162/4885RAB9A 997/4885TSHR 3698/4885

“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.