SCHEMBL4907665

SCHEMBL4907665

C=Cc1ccc(CC(O)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TRPA1 O75762 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SLC6A4 P31645 3/20 0.33
CTSC P53634 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL29913385 0.85 ESR1 (0.45) TRPA1ESR1ESR2SLC6A4POLB
SCHEMBL11687674 0.82 ALDH1A1 (0.42) ALDH1A1TRPA1TSHR
SCHEMBL5033232 0.82 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TRPA1ESR1
SCHEMBL5039083 0.80 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TRPA1ESR1
SCHEMBL28585727 0.80 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TDP1TSHR
SCHEMBL570118 0.79 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TRPA1ESR1
SCHEMBL24146430 0.79 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1TRPA1TDP1
SCHEMBL3669842 0.78 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TRPA1ESR1
SCHEMBL28477144 0.78 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TDP1CHRNB2
SCHEMBL23902608 0.78 ALDH1A1 (0.38) ALDH1A1TAS1R3TAS1R1TRPA1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768708-A Composition with muguet smell 弗门尼舍有限公司 2023-09-19 CN disclosed
CN-110177861-B Composition with muguet smell 弗门尼舍有限公司 2023-07-28 CN disclosed
US-9604921-B2 Sulfonium salt, resist composition and resist pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-28 US disclosed
US-20160090355-A1 SULFONIUM SALT, RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-31 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO 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-20160090355-A1 SULFONIUM SALT, RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS ETV6, ETV1, EIF2B3 ALDH1A1 3354/4885TAS1R3 870/4885TAS1R1 667/4885

“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.