SCHEMBL1053744

SCHEMBL1053744

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
TET2 Q6N021 1/20 0.32
PGD P52209 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
SCHEMBL28414431 0.83 TSHR (0.39) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL29023571 0.82 ACACB (0.33) HMGCRCHRM1TBXA2RADRA1AACACB
SCHEMBL112219 0.79 HMGCR (0.31) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL29353768 0.78
SCHEMBL3646440 0.77 TSHR (0.50) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5464437 0.77 OR51E2 (0.38) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3650683 0.75 PGD (0.47) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL11808402 0.75
SCHEMBL10692063 0.74 ACACB (0.32) ACACBACACA
SCHEMBL10583434 0.73 CHRM1 (0.42) TSHRHMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464750-B1 Polyurethane resin composition TOYO BOSEKI (JP) 1996-05-22 EP claimed
CN-111448182-A Aztreonam derivative and application thereof 阿里萨制药有限公司 2020-07-24 CN disclosed
WO-2019172227-A1 ADHESIVE COMPOSITION タツタ電線株式会社 2019-09-12 WO disclosed
EP-2582765-B1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2014-10-15 EP disclosed
EP-2646511-A1 CURABLE COMPOSITION Construction Research & Technology GmbH (DE) 2013-10-09 EP disclosed
EP-2588246-A1 PROCESS FOR PREPARING A THIXOTROPING AGENT AND USE THEREOF Construction Research & Technology GmbH (DE) 2013-05-08 EP disclosed
EP-2578770-A1 Floor structure comprising a parquet cover Construction Research & Technology GmbH (DE) 2013-04-10 EP disclosed
EP-2496654-A1 ADHESIVES AND SEALANTS COMPRISING ESTER BASED ON 2-PROPYLHEPTANOL BASF SE (DE) 2012-09-12 EP disclosed
WO-2012072502-A1 CURABLE COMPOSITION CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-06-07 WO disclosed
EP-2456840-A1 ADHESIVES AND SEALANTS CONTAINING CYCLOHEXANE POLYCARBOXYLIC ACID DERIVATIVES BASF SE (DE) 2012-05-30 EP disclosed
US-20030009052-A1 Rheology control agent, a method of preparing the agent, and a coating composition utilizing the agent BASF CORPORATION 2003-01-09 US disclosed
US-20020193471-A1 Including a branched alkyd; alkyd resins allow high pigment contents, while the solvent content can be kept very low to mix paints complying with volatile organic compound (VOC) regulations AKZO NOBEL N.V. (NL) 2002-12-19 US disclosed
US-6462144-B1 CARBAMATE FUNCTIONALIZED STAR OR HYPERBRANCHED POLYOLS AS REACTIVE RESINS IN COATINGS WITH GOOD WEAR RESISTANCE BASF CORPORATION 2002-10-08 US disclosed
US-20020136901-A1 Carbamate-functional resins and their use in high solids coating compositions BASF CORPORATION 2002-09-26 US disclosed
WO-2002068553-A2 CARBAMATE-FUNCTIONAL, RESINS AND THEIR USE IN HIGH SOLIDS COATING COMPOSITIONS BASF CORPORATION (US) 2002-09-06 WO disclosed
US-20020119320-A1 Carbamate-functional resins and their use in high solids coating compositions BASF CORPORATION 2002-08-29 US disclosed
EP-0630389-B1 DENDRITIC MACROMOLECULE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF PERSTORP AB (SE) 1998-04-29 EP disclosed
US-5418301-A Alkyd resins PERSTORP AB (SE) 1995-05-23 US disclosed
EP-0630389-A1 DENDRITIC MACROMOLECULE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF PERSTORP AB (SE) 1994-12-28 EP disclosed
WO-1993017060-A1 DENDRITIC MACROMOLECULE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF PERSTORP AB (SE) 1993-09-02 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 (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-20030009052-A1 Rheology control agent, a method of preparing the agent, and a coating composition utilizing the agent RFC5, CDC45, RHEB TSHR 3828/4885ALDH1A1 4426/4885HMGCR 1273/4885

“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.