SCHEMBL7632628

SCHEMBL7632628

CC(C)(COCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 2/20 0.37
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
ACLY P53396 1/20 0.33
PPARA Q07869 4/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL15012611 0.96 MEN1 (0.48) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL15012918 0.86 CYP4F2 (0.40) TSHRCYP2C9CYP4F2CYP4A11ACLY
SCHEMBL14556879 0.84 TSHR (0.41) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8052693 0.82 CYP2C9 (0.42) TSHRALDH1A1CYP2C9CYP4F2CYP4A11
SCHEMBL3687624 0.81 CYP2C9 (0.37) TSHRALDH1A1CYP2C9CYP4F2CYP4A11
SCHEMBL1924848 0.80 MEN1 (0.46) TSHRMAPK1ALDH1A1MEN1KMT2A
Pivalate SCHEMBL11109449 0.80 TSHR (0.53) TSHRMAPK1ALDH1A1MEN1KMT2A
Pivalate SCHEMBL4885836 0.80 TSHR (0.53) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2562954 0.79 CYP2C9 (0.36) TSHRALDH1A1CYP2C9CYP4F2CYP4A11
SCHEMBL3687804 0.79 CYP2C9 (0.36) TSHRALDH1A1CYP2C9CYP4F2CYP4A11

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
US-4404333-A ALIPHATIC DICARBOXYLIC ACID-ALIPHATIC DIOL-6-HYDROXYCAPROIC ACID POLYMER DAICEL CHEMICAL INDUSTRIES, INC. (JP) 1983-09-13 US claimed
US-11357755-B2 Compounds for controlling arthropods BAYER ANIMAL HEALTH GMBH (DE) 2022-06-14 US disclosed
US-20220008391-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2022-01-13 US disclosed
EP-3818047-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS Bayer Animal Health GmbH (DE) 2021-05-12 EP disclosed
WO-2020007704-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2020-01-09 WO disclosed
US-6440519-B1 FAST CURE SPEED AND SUPERIOR ADHESION UNDER HIGH TEMPERATURE-HIGH HUMIDITY CONDITIONS AND METAL CORROSION PROPERTIES DSM N.V. (NL) 2002-08-27 US disclosed
EP-0960355-A1 PHOTOCURABLE RESIN COMPOSITION DSM N.V. (NL) 1999-12-01 EP disclosed
WO-1998036325-A1 PHOTOCURABLE RESIN COMPOSITION DSM N.V. (NL) 1998-08-20 WO disclosed
US-5674569-A CURING UNDERCOATINGS, CLEAR TOP COATINGS CONCURRENTLY OR SEPARATLY, THE TOP COATINGS COMPRISING A BLEND OF A RESIN WITH PLURAL HYDROSILYL GROUP OR A POLYHYDROGENSILOXANE HOMO-OR COPOLYMER NIPPON PAINT CO., LTD. (JP) 1997-10-07 US disclosed
EP-0702068-A1 Method of forming multilayer coatings on a substrate Nippon Paint Co., Ltd. (JP) 1996-03-20 EP disclosed
EP-0179303-B2 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Himont Incorporated (US) 1992-06-17 EP disclosed
EP-0179303-B1 CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Himont Incorporated (US) 1989-05-24 EP disclosed
EP-0179303-A1 Catalysts for the polymerization of olefins Himont Incorporated (US) 1986-04-30 EP 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-20220008391-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS DDT, AAAS, AGO2 TSHR 1693/4885MAPK1 4112/4885ALDH1A1 2935/4885
US-11357755-B2 Compounds for controlling arthropods DDT, AAAS, AGO2 TSHR 1467/4885MAPK1 3908/4885ALDH1A1 2527/4885

“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.