SCHEMBL333193

SCHEMBL333193

CCCCC(CC)C(=O)OCCCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.58
CA1 P00915 4/20 0.58
MAPK1 P28482 1/20 0.48
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1358944 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL865538 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL8420597 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL8567093 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL2898891 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL2898897 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL333236 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL7217151 0.98 CA2 (0.56) CA2CA1MAPK1NAAAEPHX1
SCHEMBL7224081 0.95 CA2 (0.51) CA2CA1MAPK1NAAANPSR1
SCHEMBL7222917 0.95 CA2 (0.51) CA2CA1MAPK1NAAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100322877-A1 SILICONE ELASTOMERS IN COSMETIC ESTERS ALZO INTERNATIONAL, INC. 2010-12-23 US claimed
EP-2211833-A2 SILICONE ELASTOMERS IN COSMETIC ESTERS Alzo International, Inc. (US) 2010-08-04 EP claimed
WO-2009054931-A2 SILICONE ELASTOMERS IN COSMETIC ESTERS ALZO INTERNATIONAL, INC. (US) 2009-04-30 WO claimed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US claimed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP claimed
EP-3788024-A1 WATERLESS INTEGRAL WATERPROOFING GCP Applied Technologies Inc. (US) 2021-03-10 EP disclosed
US-10851019-B2 Waterless integral waterproofing GCP APPLIED TECH INC (US) 2020-12-01 US disclosed
US-20190330110-A1 Waterless Integral Waterproofing GCP APPLIED TECH INC (US) 2019-10-31 US disclosed
EP-2157070-B1 METHOD FOR RETARDING THE SETTING OF THE SURFACE OF A CONCRETE USING ESTER-BASED CONCRETE SURFACE RETARDERS GCP APPLIED TECH INC (US) 2017-10-25 EP disclosed
US-20160194455-A1 Silicone Elastomer Gels and Related Hydrosilylation Processes ALZO INT INC (US) 2016-07-07 US disclosed
EP-1526120-B1 CONCRETE SURFACE RETARDERS GRACE W R & CO (US) 2016-03-30 EP disclosed
WO-2015048228-A2 IMPROVED SILICONE ELASTOMER GELS AND RELATED HYDROSILYLATION PROCESSES ALZO INTERNATIONAL, INC. (US) 2015-04-02 WO disclosed
EP-0328158-B1 A METHOD FOR IMPROVING THE RELEASE OF A CAST CONCRETE ITEM FROM THE MOULD BY APPLYING TO THE MOULD A MOULD RELEASE COMPOSITION CASTROL A/S (DK) 1993-06-30 EP disclosed
WO-1992009197-A1 STABILIZED HERBICIDE COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 WO disclosed
WO-1992009195-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 WO disclosed
US-5100697-A METHOD FOR IMPROVING THE RELEASE OF A MOULDED CONCRETE BODY FROM THE MOULD CASTROL A/S (DK) 1992-03-31 US disclosed
EP-0180630-B1 A METHOD FOR IMPROVING THE RELEASE OF A MOULDED CONCRETE BODY FROM THE MOULD CASTROL A/S (DK) 1991-10-09 EP disclosed
EP-0328158-A1 A method for improving the release of a cast concrete item from the mould by applying to the mould a mould release composition CASTROL A/S (DK) 1989-08-16 EP disclosed
EP-0180630-A1 A METHOD FOR IMPROVING THE RELEASE OF A MOULDED CONCRETE BODY FROM THE MOULD. KOEGE KEMISK VAERK (DK) 1986-05-14 EP disclosed
WO-1985005066-A1 A METHOD FOR IMPROVING THE RELEASE OF A MOULDED CONCRETE BODY FROM THE MOULD KEMISK VA^ERK KO^/GE A/S (DK) 1985-11-21 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 (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-20100322877-A1 SILICONE ELASTOMERS IN COSMETIC ESTERS CUTA, LAGE3, MMS19 CA2 4205/4885CA1 4588/4885MAPK1 3146/4885
US-20160194455-A1 Silicone Elastomer Gels and Related Hydrosilylation Processes ITCH, MMS19, STS CA2 3593/4885CA1 3911/4885MAPK1 3036/4885

“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.