SCHEMBL873314

SCHEMBL873314

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.39
MAPT P10636 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 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
SCHEMBL27586525 0.90 TSHR (0.46) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL12913875 0.88 TSHR (0.44) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL2908750 0.86 TSHR (0.47) TSHRTDP1CYP3A4MAPTCACNA1B
Hydrochloric Acid SCHEMBL28013648 0.86 TSHR (0.43) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL1024024 0.85 CA2 (0.59) TSHRTDP1CYP3A4CA1CA2
SCHEMBL10495787 0.83 CA2 (0.44) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL15443382 0.83 CA2 (0.53) TSHRTDP1CA1CA2HPGD
SCHEMBL15442976 0.83 TSHR (0.47) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL14331822 0.82 TSHR (0.46) TSHRTDP1CYP3A4MAPTCACNA1B
SCHEMBL15442774 0.82 TSHR (0.56) TSHRTDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823682-A OCA adhesive material, preparation method thereof and application thereof in preparation of OCA adhesive film 宁波激智科技股份有限公司 2025-04-15 CN claimed
CN-103319521-A Cyclic siloxane compositions for the release of active ingredients GEN ELECTRIC 2013-09-25 CN claimed
JP-4739231-B2 2011-08-03 JP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-7579495-B2 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2009-08-25 US claimed
US-7576170-B2 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS (US) 2009-08-18 US claimed
CN-100522127-C Perfume composition KAO CORP (JP) 2009-08-05 CN claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
CN-122016980-A In-situ real-time determination method, system and application of fragrance dynamic change in black tea drying process 中国农业科学院茶叶研究所 2026-05-12 CN disclosed
US-20250344991-A1 COMPOSITIONS AND METHODS FOR A UNIVERSAL CLINICAL TEST FOR OLFACTORY DYSFUNCTION UNIV ROCKEFELLER (US) 2025-11-13 US disclosed
US-20040197278-A1 Chewable compositions with odour absorbing agents THE PROCTER & GAMBLE COMPANY 2004-10-07 US disclosed
WO-2003017775-A1 CHEWABLE COMPOSITIONS WITH ODOUR ABSORBING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2003-03-06 WO disclosed
EP-1287746-A1 Chewable compositions with odour absorbing agents THE PROCTER & GAMBLE COMPANY (US) 2003-03-05 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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS TSHR 4528/4885TDP1 3632/4885CYP3A4 1847/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 TSHR 4168/4885TDP1 3581/4885CYP3A4 2149/4885

“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.