SCHEMBL109178

SCHEMBL109178

CC(C)(C)OC(=O)c1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.47
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
GRM6 O15303 1/20 0.42
ELANE P08246 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CFTR P13569 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL30111657 1.00 TSHR (0.50) TSHRALDH1A1ADRA1AADRA1BTDP1
Hydrogen Peroxide SCHEMBL29048859 0.98 TSHR (0.48) TSHRALDH1A1ADRA1AADRA1BTDP1
SCHEMBL30339401 0.92 ALDH1A1 (0.56) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL5080219 0.92 TSHR (0.44) TSHRALDH1A1ADRA1AADRA1BTDP1
SCHEMBL722115 0.92 ALDH1A1 (0.56) TSHRALDH1A1TDP1HSD17B10LMNA
SCHEMBL10514026 0.92 TSHR (0.44) TSHRALDH1A1ADRA1AADRA1BTDP1
SCHEMBL28318092 0.92 LMNA (0.57) TSHRALDH1A1HSD17B10KMT2ALMNA
Water SCHEMBL28274877 0.90 ALDH1A1 (0.54) TSHRALDH1A1ADRA1AADRA1BTDP1
SCHEMBL27872266 0.90 TSHR (0.43) TSHRALDH1A1ADRA1AADRA1BTDP1
SCHEMBL7996350 0.88 CYP2C19 (0.43) TSHRALDH1A1ADRA1AADRA1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354848-B Ginger aroma compound, preparation method thereof and ginger aroma base 波顿香料股份有限公司 2025-06-03 CN claimed
CN-119463359-A Ultrahigh molecular weight polypropylene and preparation method thereof 大连理工大学 2025-02-18 CN claimed
CN-119350856-A Silicon ester-based flexible vulcanizable material and preparation method thereof 芜湖佳宏新材料股份有限公司 2025-01-24 CN claimed
CN-118338547-A FPC board with tearing resistance function and processing technology thereof 深圳市山本光电股份有限公司 2024-07-12 CN claimed
CN-117157350-A Encapsulant composition for optical device and encapsulant film for optical device using same 株式会社LG化学 2023-12-01 CN claimed
US-11773192-B2 Process of preparing polyolefin with the discontinuous addition of a thermal runaway reducing agent SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2023-10-03 US claimed
EP-3510056-B2 PROCESS OF PREPARING POLYOLEFIN WITH THE DISCONTINUOUS ADDITION OF A THERMAL RUNAWAY REDUCING AGENT SABIC GLOBAL TECHNOLOGIES BV (NL) 2023-07-19 EP claimed
CN-116354848-A Ginger aroma compound, preparation method thereof and ginger aroma base 波顿香料股份有限公司 2023-06-30 CN claimed
EP-4107143-A1 EFFICIENT AND SELECTIVE ROUTE FOR THE SYNTHESIS OF ALKYL 2-BENZOYLBENZOATE Dow Global Technologies LLC (US) 2022-12-28 EP claimed
CN-115279725-A Efficient and selective route for the synthesis of alkyl 2-benzoyl benzoates 陶氏环球技术有限责任公司 2022-11-01 CN claimed
US-20120071598-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2012-03-22 US claimed
US-8084534-B2 Plasticised polyvinyl chloride EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-12-27 US claimed
US-20110040001-A1 Plasticised Polyvinyl Chloride EXXONMOBIL CHEMICAL PATENTS INC. 2011-02-17 US claimed
US-7875742-B2 hydrogenating organic compounds by contacting with hydrogen-containing gas in presence of catalyst which comprises catalytically active metals applied to porous catalyst support; catalytically active metals having been derived via decomposed amine complex of metal on support EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-01-25 US claimed
US-20100184895-A1 Hydrogenation Processes EXXONMOBOIL RESEARCH AND ENGINEERING COMPANY 2010-07-22 US claimed
US-7595420-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-29 US claimed
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US claimed
EP-1567470-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2005-08-31 EP claimed
WO-2004046078-A1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO claimed
US-5221795-A PROCESS FOR PRODUCING OLEFIN OXIDES ENIRICERCHE S.P.A. (IT) 1993-06-22 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-20100184895-A1 Hydrogenation Processes HAO2, HVCN1, AOC3 TSHR 4578/4885ALDH1A1 1483/4885ADRA1A 3119/4885

“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.