SCHEMBL194466

SCHEMBL194466

C=CCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.41
PRKCA P17252 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
RHOA P61586 1/20 0.37
TK1 P04183 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
BTN3A1 O00481 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
Bicarbonate SCHEMBL28099196 0.96 TSHR (0.40) TSHRCYP3A4PRKCATDP1MAPT
Bicarbonate SCHEMBL28172827 0.92 TSHR (0.38) TSHRCYP3A4PRKCATDP1MAPT
SCHEMBL31443229 0.92 TSHR (0.38) TSHRCYP3A4PRKCATDP1MAPT
SCHEMBL7866089 0.86 TSHR (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL26945317 0.86 TSHR (0.41) TSHRCYP3A4PRKCATDP1MAPT
SCHEMBL8517677 0.84 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL6194635 0.84 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL4675516 0.84 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL877587 0.84 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10587973 0.82 TSHR (0.40) TSHRCYP3A4TDP1MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008771-A1 COSMETIC COMPOSITION COMPRISING A NATURAL RESIN L'OREAL (FR) 2024-01-11 WO claimed
CN-110730653-B Cosmetic composition comprising pullulan derivatives LVMH研究公司 2023-08-22 CN claimed
WO-2022228846-A1 METHOD FOR PRODUCING A TERMINAL-FUNCTIONAL POLYMER BASF SE (DE) 2022-11-03 WO claimed
WO-2022117389-A1 METHOD FOR PRODUCING A TERMINAL-FUNCTIONAL POLYMER BASF SE (DE) 2022-06-09 WO claimed
CN-108129340-A A kind of preparation method of benzamide ortho position allyated products and its purification method 温州大学 2018-06-08 CN claimed
EP-2531496-B1 MANUFACTURE OF AN EPOXYETHYL CARBOXYLATE OR GLYCIDYL CARBOXYLATE HEXION RES BELGIUM SA (BE) 2017-03-15 EP claimed
US-20130006001-A1 MANUFACTURE OF AN EPOXYETHYL CARBOXYLATE OR GLYCIDYL CARBOXYLATE MOMENTIVE SPECIALTY CHEMICALS INC. 2013-01-03 US claimed
EP-2531496-A1 MANUFACTURE OF AN EPOXYETHYL CARBOXYLATE OR GLYCIDYL CARBOXYLATE Momentive Specialty Chemicals Research Belgium S.A. (BE) 2012-12-12 EP claimed
CN-102639568-A Functionalized polymers and methods for their manufacture BRIDGESTONE CORP 2012-08-15 CN claimed
WO-2011095294-A1 MANUFACTURE OF AN EPOXYETHYL CARBOXYLATE OR GLYCIDYL CARBOXYLATE MOMENTIVE SPECIALTY CHEMICALS RESEARCH S.A. (BE) 2011-08-11 WO claimed
WO-1998006771-A1 PROCESS FOR PREPARATION OF ADDITION PRODUCTS OF DIFUNCTIONAL TELECHELIC POLYOLEFINS FROM CYCLIC OLEFINS BY OLEFIN METATHESIS REACTION AMOCO CORPORATION (US) 1998-02-19 WO claimed
WO-1996013558-A1 UNSATURATED BINDER COMPOSITION PERSTORP AB (SE) 1996-05-09 WO claimed
EP-0513331-A1 AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-11-19 EP claimed
WO-1992009554-A1 AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-06-11 WO claimed
US-4719099-A ANIONIC AND CATIONIC L'OREAL (FR) 1988-01-12 US claimed
US-4394510-A Process for preparing an isoxazolylurea ELI LILLY AND COMPANY (US) 1983-07-19 US claimed
EP-0057550-A1 Process for preparing an isoxazolylurea ELI LILLY AND COMPANY (US) 1982-08-11 EP claimed
US-4259501-A Method for preparing 3-amino-5-(t-butyl)isoxazole ELI LILLY AND COMPANY (US) 1981-03-31 US claimed
US-4076912-A COSMETIC CARRIERS L'OREAL (FR) 1978-02-28 US claimed
US-4070533-A Terpolymer of (a) crotonic acid (b) vinyl acetate and (c) allyl or methallyl esters L'OREAL (FR) 1978-01-24 US claimed

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-20130006001-A1 MANUFACTURE OF AN EPOXYETHYL CARBOXYLATE OR GLYCIDYL CARBOXYLATE LOX, MLX, TET2 TSHR 4373/4885CYP3A4 924/4885PRKCA 4310/4885

“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.