SCHEMBL649122

SCHEMBL649122

C=C(Cc1ccccc1)[C](C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
AKR1B1 P15121 1/20 0.46
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
NOS2 P35228 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL13461367 0.86 CES1 (0.46) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL12095508 0.85 CES1 (0.55) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL9513578 0.82 CES1 (0.54) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL531194 0.80 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL11339635 0.80 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
Benzene SCHEMBL9806260 0.80 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
Methacrylic Acid SCHEMBL4625270 0.79 CES1 (0.50) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL9809316 0.78 CES1 (0.48) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL9580934 0.78 CES1 (0.48) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL712590 0.76 CES1 (0.46) CES1CES2AKR1B1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118187-B1 POLYLACTIDE-BASED COMPOSITIONS MATERIA NOVA (BE) 2012-09-26 EP claimed
US-8119713-B2 Polylactide-based compositions MATERIA NOVA (BE) 2012-02-21 US claimed
US-20100184894-A1 POLYLACTIDE-BASED COMPOSITIONS MATERIA NOVA (BE) 2010-07-22 US claimed
EP-2118187-A1 POLYLACTIDE-BASED COMPOSITIONS Materia Nova (BE) 2009-11-18 EP claimed
WO-2008095874-A1 POLYLACTIDE-BASED COMPOSITIONS MATERIA NOVA (BE) 2008-08-14 WO claimed
EP-0288735-B1 Agent for preserving wood and wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-02-23 EP claimed
US-20210162050-A1 TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-06-03 US disclosed
US-10993437-B2 Anti-microbial polymer incorporating a quaternary ammonium group CHEMGREEN INNOVATION INC. (CA) 2021-05-04 US disclosed
US-10912834-B2 Topical formulations based on ionic species for skin treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-09 US disclosed
EP-3503927-A1 TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT The Regents of the University of California (US) 2019-07-03 EP disclosed
US-20190192661-A1 TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-06-27 US disclosed
CN-109789216-A Skin treating topical formulations based on ionic species 加利福尼亚大学董事会 2019-05-21 CN disclosed
US-20180200293-A1 STABILIZED GOLD NANOPARTICLES GHANDI KHASHAYAR (CA) 2018-07-19 US disclosed
EP-0955806-A1 BIOACTIVE COMPOUNDS THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF AGRICULTURE (US) 1999-11-17 EP disclosed
US-5854178-A Bioactive compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-12-29 US disclosed
US-5710099-A AMINO ETHERS, ENHANCING PLANT GROWTH, INSECT RESISTANCE, INCREASING TAXOL CONTENT IN YEWS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-01-20 US disclosed
WO-1997031529-A1 BIOACTIVE COMPOUNDS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1997-09-04 WO disclosed
EP-0288735-B1 Agent for preserving wood and wooden materials DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-02-23 EP disclosed
EP-0288735-A1 Agent for preserving wood and wooden materials DESOWAG Materialschutz GmbH (DE) 1988-11-02 EP disclosed
US-4412018-A INTERCALATION COMPOUNDS; ION EXCHANGING; THICKENERS; NONAQUEOUS PAINTS; COATINGS NL INDUSTRIES, INC. (US) 1983-10-25 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 (4 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-20210162050-A1 TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT CUTA, KRT18, SLC38A7 CES1 2399/4885CES2 2375/4885AKR1B1 3884/4885
US-20190192661-A1 TOPICAL FORMULATIONS BASED ON IONIC SPECIES FOR SKIN TREATMENT CUTA, KRT18, SLC38A7 CES1 2399/4885CES2 2375/4885AKR1B1 3884/4885
US-10993437-B2 Anti-microbial polymer incorporating a quaternary ammonium group ARG1, PCNA, ARG2 CES1 3145/4885CES2 2656/4885AKR1B1 3461/4885
US-10912834-B2 Topical formulations based on ionic species for skin treatment CUTA, KRT18, SLC38A7 CES1 2399/4885CES2 2375/4885AKR1B1 3884/4885

“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.