SCHEMBL453470

SCHEMBL453470

Nc1ccc(C(=O)OCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
ESR1 P03372 1/20 0.73
ESR2 Q92731 1/20 0.73
CYP3A4 P08684 3/20 0.62
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 1/20 0.62
GLA P06280 1/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL32684700 0.91 NPC1 (0.84) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL4459400 0.91 ESR1 (0.86) NPC1RAB9AESR1ESR2CYP3A4
Phenethyl Benzoate SCHEMBL168823 0.88 ESR1 (0.80) NPC1RAB9AESR1ESR2CYP3A4
Phenethyl Benzoate SCHEMBL4351681 0.88 ESR1 (0.80) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL291777 0.86 NPC1 (0.73) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL1129589 0.85 ESR1 (1.00) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL8108520 0.83 ESR1 (0.73) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL3821543 0.83 ESR1 (0.73) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL27695870 0.83 ESR1 (0.73) NPC1RAB9AESR1ESR2CYP3A4
SCHEMBL6024152 0.83 NPC1 (0.70) NPC1RAB9AESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095128-B1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT PROCTER & GAMBLE (US) 2005-04-20 EP claimed
US-20050009727-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 US claimed
US-20040116320-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2004-06-17 US claimed
US-20030211963-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY 2003-11-13 US claimed
US-6566312-B2 A softener comprising a perfume which imparts a fresh fragrance to laundered fabrics and is long-lasting; reaction product of primary and or secondary amines and a ketone or aldehyde; time release agents PROCTER & GAMBLE COMPANY 2003-05-20 US claimed
US-20030064899-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY 2003-04-03 US claimed
CN-1335883-A Laundry and Cleaning Compositions PROCTER & GAMBLE (US) 2002-02-13 CN claimed
EP-1144566-A2 LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-10-17 EP claimed
EP-1095128-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2001-05-02 EP claimed
WO-2000002991-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2000-01-20 WO claimed
WO-2000002981-A2 LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-01-20 WO claimed
EP-0971024-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP claimed
EP-0971025-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP claimed
US-20240206461-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS ENCAPSYS, LLC (US) 2024-06-27 US disclosed
US-12016963-B2 Freshening compositions with alkoxylated phenols THE PROCTER & GAMBLE COMPANY (US) 2024-06-25 US disclosed
EP-4370644-A1 CONSUMER PRODUCTS COMPRISING DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS The Procter & Gamble Company (US) 2024-05-22 EP disclosed
WO-2000002991-A1 AMINE REACTION COMPOUNDS COMPRISING ONE OR MORE ACTIVE INGREDIENT THE PROCTER & GAMBLE COMPANY (US) 2000-01-20 WO disclosed
EP-0971021-A1 Process for producing particles of amine reaction product THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP disclosed
EP-0971024-A1 Laundry and cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 EP disclosed
EP-0971025-A1 Amine reaction compounds comprising one or more active ingredient THE PROCTER & GAMBLE COMPANY (US) 2000-01-12 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 (1 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-20240206461-A1 DELIVERY PARTICLES WITH HIGH CORE:WALL RATIOS CETP, CHMP4B, HDLBP NPC1 435/4885RAB9A 3453/4885ESR1 3748/4885

“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.