SCHEMBL644718

SCHEMBL644718

CCC(C)(C)C(=O)OOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARA Q07869 1/20 0.40
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ELANE P08246 1/20 0.37
PIN1 Q13526 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3248400 0.85 KDM4E (0.55) L3MBTL1PPARACYP1A2CYP2C19NPC1
SCHEMBL131278 0.81 ELANE (0.51) RIPK1L3MBTL1ATMNPSR1PPARA
SCHEMBL1960388 0.81 ELANE (0.49) L3MBTL1ATMALOX15ALDH1A1TSHR
SCHEMBL10688394 0.79 ATM (0.42) L3MBTL1ATMPPARAPRSS1CTSG
SCHEMBL27275827 0.78 L3MBTL1 (0.42) L3MBTL1ATMPPARAALOX15ALDH1A1
SCHEMBL8640706 0.77 ALDH1A1 (0.40) L3MBTL1ATMNPSR1PPARAALDH1A1
SCHEMBL14827287 0.76 ELANE (0.58) L3MBTL1NPSR1PPARAALDH1A1ELANE
SCHEMBL18961212 0.76 PPARA (0.44) RIPK1PPARAALOX15TDP1NPC1
SCHEMBL7945045 0.76 L3MBTL1 (0.33) RIPK1L3MBTL1ATMNPSR1PPARA
SCHEMBL116844 0.75 THRB (0.51) L3MBTL1PPARAALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205924-B Cherry essence and essence microcapsule 宁波芬畅凝科香精香料有限公司 2023-04-14 CN claimed
CN-113150864-B Natural and fresh flower and fruit flavor essence and preparation method and application thereof 广州芬豪香精有限公司 2021-11-02 CN claimed
CN-112472859-A Fragrance aromatherapy candle with twelve fragrances and lasting fragrance 华东理工大学 2021-03-12 CN claimed
EP-3295925-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR Noxell Corporation (US) 2018-03-21 EP claimed
EP-2917317-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2017-08-09 EP claimed
US-20150299614-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2015-10-22 US claimed
EP-2917317-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2015-09-16 EP claimed
WO-2014072519-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-05-15 WO claimed
US-20090226389-A1 OXIDANT FOR HAIR TREATMENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-09-10 US claimed
EP-1986748-A1 OXIDANT FOR HAIR TREATMENT Takasago International Corporation (JP) 2008-11-05 EP claimed
WO-2008116021-A1 ORGANOLEPTIC COMPOUNDS WITH ENHANCED PROPERTIES ZYMES, LLC (US) 2008-09-25 WO claimed
EP-1898865-A1 FRAGANCE COMPOSITIONS Quest International Services B.V. (NL) 2008-03-19 EP claimed
WO-2007096409-A1 OXIDANT FOR HAIR TREATMENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-08-30 WO claimed
WO-2006136828-A1 FRAGANCE COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-12-28 WO claimed
EP-0991327-B1 MICROORGANISM REDUCTION METHODS AND COMPOSITIONS FOR FOOD CLEANING PROCTER & GAMBLE (US) 2004-12-01 EP claimed
EP-1343466-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 2003-09-17 EP claimed
US-6455086-B1 BASIC FOOD CLEANING COMPOSITIONS USING FOOD COMPATIBLE INGREDIENTS FOR TREATING FOOD SUCH AS PRODUCE, E.G., FRUITS AND VEGETABLES, AND EDIBLE ANIMAL PROTEINS ARE PROVIDED WITH SPECIFIC NON-SUBSTANTIVE PERFUME. LIQUID AND SOLID POWDER THE PROCTER & GAMBLE COMPANY 2002-09-24 US claimed
WO-2002049600-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 2002-06-27 WO claimed
EP-0991327-A1 MICROORGANISM REDUCTION METHODS AND COMPOSITIONS FOR FOOD CLEANING THE PROCTER & GAMBLE COMPANY (US) 2000-04-12 EP claimed
WO-1999000025-A1 MICROORGANISM REDUCTION METHODS AND COMPOSITIONS FOR FOOD CLEANING THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO 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-20150299614-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS ALOX12, NR1H2, CYP19A1 RIPK1 2805/4885L3MBTL1 1775/4885ATM 2027/4885

“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.