SCHEMBL3724147

SCHEMBL3724147

CCCC(C)(C)C(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
ACLY P53396 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL29057705 0.97 ALDH1A1 (0.35) ALDH1A1TSHRACLYLMNAHSD17B10
SCHEMBL1114580 0.85 ACLY (0.38) ALDH1A1TSHRACLYHSD17B10ACACB
SCHEMBL28323669 0.83 AKR1B1 (0.41) ALDH1A1TSHRACLYHSD17B10ACACB
SCHEMBL29275052 0.83 ACLY (0.36) ALDH1A1TSHRACLYHSD17B10ACACB
SCHEMBL5970077 0.81 CES2 (0.44) ALDH1A1TSHRACLYHSD17B10MEN1
SCHEMBL7613392 0.81 CES2 (0.44) ALDH1A1TSHRACLYHSD17B10MEN1
SCHEMBL18097881 0.81 CES2 (0.44) ALDH1A1TSHRACLYHSD17B10MEN1
Ammonia Solution, Strong SCHEMBL28378227 0.81 CES2 (0.39) ALDH1A1TSHRACLYHSD17B10ACACB
SCHEMBL8976725 0.81 CES2 (0.44) ALDH1A1TSHRACLYHSD17B10MEN1
SCHEMBL28862654 0.81 ALDH1A1 (0.31) ALDH1A1TSHRLMNAHSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993004-B2 Pest control composition CRODA, INC. (US) 2015-03-31 US claimed
US-20120251641-A1 METHODS FOR PEST CONTROL EMPLOYING MICROEMULSION-BASED ENHANCED PEST CONTROL FORMULATIONS TYRA TECH, INC, (US) 2012-10-04 US claimed
WO-2010115065-A2 METHODS FOR PEST CONTROL EMPLOYING MICROEMULSION-BASED ENHANCED PEST CONTROL FORMULATIONS TYRATECH, INC. (US) 2010-10-07 WO claimed
CN-113950358-B Film-forming composition 花王株式会社 2023-11-03 CN disclosed
CN-109790416-A Process for preparing organopolysiloxanes having (meth) acrylate functions 埃肯有机硅法国简易股份公司 2019-05-21 CN disclosed
EP-3426740-A2 METHOD OF PREPARING AN OXIDATIVELY CURABLE COATING FORMULATION Catexel Limited (GB) 2019-01-16 EP disclosed
WO-2017134463-A2 METHOD OF PREPARING AN OXIDATIVELY CURABLE COATING FORMULATION CATEXEL LIMITED (GB) 2017-08-10 WO disclosed
CN-101687833-B Glycidyl esters of C10 alkanoic acids and their use BASF SE 2013-06-12 CN disclosed
US-20120270934-A1 PROSTACYCLIN DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2012-10-25 US disclosed
US-20120251641-A1 METHODS FOR PEST CONTROL EMPLOYING MICROEMULSION-BASED ENHANCED PEST CONTROL FORMULATIONS TYRA TECH, INC, (US) 2012-10-04 US disclosed
WO-2010115065-A2 METHODS FOR PEST CONTROL EMPLOYING MICROEMULSION-BASED ENHANCED PEST CONTROL FORMULATIONS TYRATECH, INC. (US) 2010-10-07 WO disclosed
EP-0339088-B1 IMPROVED TRACTION FUID Tonen Corporation (JP) 1993-04-21 EP disclosed
US-5117022-A Antitumor THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-26 US disclosed
US-4978468-A A CYCLOHEXYL ESTER AND A CYCLOHEXYL ACRYLATE POLYMER TOA NENRYO KOGYO, K. K. (JP) 1990-12-18 US disclosed
WO-1990002131-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-03-08 WO disclosed
EP-0339088-A1 IMPROVED TRACTION FUID Tonen Corporation (JP) 1989-11-02 EP disclosed
US-3932285-A MONOCARBOXYLIC ACID TENNECO CHEMICALS, INC. (US) 1976-01-13 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 (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-20120270934-A1 PROSTACYCLIN DERIVATIVES PTGIS, PTGIR, PTGER1 ALDH1A1 1386/4885TSHR 3310/4885ACLY 2782/4885

“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.