SCHEMBL4994423

SCHEMBL4994423

CCCCC(C)(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ESR2 Q92731 5/20 0.39
ESR1 P03372 4/20 0.39
NR3C2 P08235 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
PGR P06401 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4414522 0.95 LMNA (0.39) KIF11LMNATDP1NR3C2DRD2
SCHEMBL1546508 0.89 NR3C2 (0.39) KIF11LMNAESR2ESR1NR3C2
SCHEMBL19678206 0.82 ACACB (0.42) KIF11
SCHEMBL19678200 0.82 FFAR4 (0.42) TDP1
SCHEMBL19678203 0.82 FFAR4 (0.42) TDP1
SCHEMBL1774301 0.80 CYP2C19 (0.41) LMNAESR2ESR1NR3C2CYP2C19
SCHEMBL6352915 0.80 CYP2C19 (0.33) KIF11ESR2ESR1NR3C2DRD2
SCHEMBL18275310 0.80 ALDH1A1 (0.38) KIF11LMNATDP1CYP2C19HIF1A
SCHEMBL11561769 0.79 LMNA (0.41) KIF11LMNATDP1ESR2ESR1
SCHEMBL28276710 0.79 KIF11 (0.41) KIF11LMNATDP1ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118284891-A Automatic spray dispenser 第10站有限责任公司 2024-07-02 CN disclosed
CN-112479842-B Preparation method of 4-tert-butyl benzene propionaldehyde 西安凯立新材料股份有限公司 2024-02-23 CN disclosed
EP-3280496-A1 EXTENDED LONGEVITY FRAGRANCE DELIVERY COMPOSITION Momentive Performance Materials Inc. (US) 2018-02-14 EP disclosed
WO-2016164421-A1 EXTENDED LONGEVITY FRAGRANCE DELIVERY COMPOSITION MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-10-13 WO disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
CN-101669887-B Hair processing agent and method for permanent waving hair SHOWA DENKO KK 2012-12-05 CN disclosed
CN-101083975-B Hair treatment agent and hair waving method SHOWA DENKO KK 2010-12-01 CN disclosed
CN-101669887-A Hair processing agent and method for permanent waving hair SHOWA DENKO KK 2010-03-17 CN disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
CN-101083975-A Hair treatment agent and hair waving method SHOWA DENKO KK (JP) 2007-12-05 CN 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 KIF11 4520/4885LMNA 4594/4885TDP1 4784/4885

“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.