SCHEMBL18763598

SCHEMBL18763598

COc1ccc(-c2cc(CBr)ccc2OC)cc1CBr

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.58
GABRB2 P47870 14/20 0.58
ALOX5 P09917 4/20 0.58
CNR2 P34972 2/20 0.58
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
HTR7 P34969 2/20 0.42
CASR P41180 1/20 0.38

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
SCHEMBL10052083 0.84 CA2 (0.47)
SCHEMBL29143285 0.80 HTR7 (0.51) GABRA1GABRB2ALOX5CNR2HTR7
SCHEMBL18780832 0.79 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR2GABRA5
SCHEMBL30728864 0.78 PDE4B (0.56) GABRA1GABRB2ALOX5CNR2HTR7
SCHEMBL15906086 0.78 SMN1; SMN2 (0.45) GABRA1GABRB2ALOX5CNR2HTR7
SCHEMBL28008884 0.77 KDM4E (0.46) GABRA1GABRB2ALOX5CNR2HTR7
SCHEMBL3466479 0.77 PDE4B (0.60) GABRA1GABRB2ALOX5CNR2HTR7
SCHEMBL31060931 0.76 GABRA1 (0.79) GABRA1GABRB2ALOX5CNR2GABRA5
SCHEMBL10972502 0.75 NAAA (0.51) GABRA1GABRB2ALOX5CNR2CASR
SCHEMBL1704704 0.74 GABRA1 (0.63) GABRA1GABRB2ALOX5CNR2GABRA5

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 9 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

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 GABRA1 395/4885GABRB2 320/4885ALOX5 374/4885
US-10053406-B2 Synthesis of honokiol UGT2B7, UGT1A7, DHCR7 GABRA1 395/4885GABRB2 320/4885ALOX5 374/4885

“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.