SCHEMBL1781027

SCHEMBL1781027

CCCc1ccc(C(OC)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
CA2 P00918 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
THRB P10828 2/20 0.38
MGLL Q99685 1/20 0.37
PLK1 P53350 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR2A P28223 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11235369 0.88 CA2 (0.46) LPLLIPGCA2THRBPLK1
SCHEMBL8704108 0.84 HTR2A (0.54) LPLLIPGMGLLHTR2A
SCHEMBL9008790 0.82 TDP1 (0.50) LPLLIPGCA2L3MBTL1
SCHEMBL18910992 0.81 ACACB (0.41) LPLLIPGCA2ACACBACACA
SCHEMBL15115428 0.81 ACACB (0.41) LPLLIPGCA2ACACBACACA
SCHEMBL15953591 0.81 TDP1 (0.43) KMT2A
SCHEMBL15952479 0.81 CYP1A2 (0.32) KMT2AL3MBTL1
SCHEMBL3126542 0.81 ACHE (0.46) LPLLIPGCA2ACACBACACA
SCHEMBL27930342 0.81 TAAR1 (0.55) HTR2AKMT2AL3MBTL1
SCHEMBL28312128 0.81 CYP4A11 (0.48) CA2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698334-B Preparation method of p-tert-butyl benzene propionaldehyde 格林生物科技股份有限公司 2022-07-29 CN disclosed
CN-110698334-A Preparation method of p-tert-butyl benzene propionaldehyde 格林生物科技股份有限公司 2020-01-17 CN disclosed
WO-2019179773-A1 DIACETAL DERIVATIVES AND THEIR USE AS CLARIFIER CLARIANT INTERNATIONAL LTD (CH) 2019-09-26 WO disclosed
EP-3543286-A1 POLYMER COMPOSITION COMPRISING DIACETAL DERIVATIVES Clariant International Ltd (CH) 2019-09-25 EP disclosed
EP-3543244-A1 DIACETAL DERIVATIVES AND THEIR USE AS CLARIFIER Clariant International Ltd (CH) 2019-09-25 EP disclosed
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP disclosed
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP disclosed
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP disclosed
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP disclosed
US-8188023-B2 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-29 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP disclosed
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 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 (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-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, FAAH2, FAAH LPL 1317/4885LIPG 902/4885CA2 4196/4885

“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.