Sugi Predict

Sugi Predict / Compounds / SCHEMBL3665838

SCHEMBL3665838

SCHEMBL3665838

Oc1c(-c2ccccc2)cc(C(c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.45
▸ ESR2 Q92731 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ PTPN1 P18031 4/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ PDE4B Q07343 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
SCHEMBL3667109 0.81 BACE1 (0.44) BACE1ESR2PTPN1ALOX5ALDH1A1
SCHEMBL3680346 0.81 BACE1 (0.52) BACE1ESR2ESR1ALOX5ALDH1A1
SCHEMBL296464 0.76 BACE1 (0.49) BACE1ESR2ESR1PTPN1ALOX5
SCHEMBL5990396 0.76 BACE1 (0.48) BACE1ESR2PTPN1ALOX5ALDH1A1
SCHEMBL200188 0.76 BACE1 (0.49) BACE1ESR2PTPN1ALOX5ALDH1A1
SCHEMBL8900064 0.74 BACE1 (0.47) BACE1ESR2PTPN1ALOX5ALDH1A1
SCHEMBL12191322 0.74 KIF11 (0.39) BACE1ESR2ESR1PTGDR2KIF11
SCHEMBL9469340 0.74 PTPN1 (0.63) BACE1ESR2PTPN1ALOX5ALDH1A1
SCHEMBL23861606 0.73 ESR2 (0.53) BACE1ESR2ESR1PTPN1ALOX5
SCHEMBL13657853 0.73 BACE1 (0.45) BACE1ESR2ESR1PTPN1ALOX5

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988331-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2018-06-05 — — US disclosed
US-9988331-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2018-06-05 — — US disclosed
EP-2225192-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2017-05-03 — — EP disclosed
US-RE46151-E1 Method for the production of 4,4′-[1-(trifluoromethyl)alkylidene]-bis-(2,6-diphenylphenols) BASF SE (DE) 2016-09-20 — — US disclosed
US-RE46151-E1 Method for the production of 4,4′-[1-(trifluoromethyl)alkylidene]-bis-(2,6-diphenylphenols) BASF SE (DE) 2016-09-20 — — US disclosed
US-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2013-02-21 — — US disclosed
US-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2013-02-21 — — US disclosed
EP-2234949-B1 METHOD FOR THE PRODUCTION OF 4,4'-[1-(TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2013-02-20 — — EP disclosed
EP-2234949-B1 METHOD FOR THE PRODUCTION OF 4,4'-[1-(TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2013-02-20 — — EP disclosed
US-8318985-B2 Method for producing optically active, racemic menthol BASF SE (DE) 2012-11-27 — — US disclosed
US-20100312020-A1 METHOD FOR THE PRODUCTION OF 4,4'-[1-TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2010-12-09 — — US disclosed
US-20100312020-A1 METHOD FOR THE PRODUCTION OF 4,4'-[1-TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2010-12-09 — — US disclosed
EP-2234949-A1 METHOD FOR THE PRODUCTION OF 4,4'-Ý1-(TRIFLUOROMETHYL)ALKYLIDENE¨-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2010-10-06 — — EP disclosed
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2010-09-30 — — US disclosed
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2010-09-30 — — US disclosed
WO-2009077549-A1 METHOD FOR THE PRODUCTION OF 4,4'-[1-(TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2009-06-25 — — WO disclosed
WO-2009077549-A1 METHOD FOR THE PRODUCTION OF 4,4'-[1-(TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) BASF SE (DE) 2009-06-25 — — WO disclosed
WO-2009068444-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL BASF SE (DE) 2009-06-04 — — WO disclosed
EP-1858903-B1 DIARYLPHENOXY ALUMINUM COMPOUNDS BASF SE (DE) 2008-10-08 — — EP disclosed
EP-1942111-A1 Diarylphenoxy aluminum compounds BASF SE (DE) 2008-07-09 — — EP 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-20130046118-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 BACE1 280/4885ESR2 2869/4885ESR1 4062/4885
US-20100312020-A1 METHOD FOR THE PRODUCTION OF 4,4'-[1-TRIFLUOROMETHYL)ALKYLIDENE]-BIS-(2,6-DIPHENYLPHENOLS) ADH1C, CYP2E1, HNF4A BACE1 3407/4885ESR2 735/4885ESR1 771/4885
US-20100249467-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE, RACEMIC MENTHOL ADH1C, DHCR7, MSMO1 BACE1 280/4885ESR2 2869/4885ESR1 4062/4885

“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.