SCHEMBL689448

SCHEMBL689448

CC(C)C(=Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.55
AKR1C1 Q04828 1/20 0.48
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
MCL1 Q07820 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
FBP1 P09467 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL22634102 1.00 AKR1C3 (0.55) AKR1C3AKR1C1HTTALDH1A1TSHR
SCHEMBL16159989 0.86 AKR1C3 (0.53) AKR1C3AKR1C1HTTALDH1A1TSHR
SCHEMBL10697322 0.84 MCL1 (0.53) AKR1C3AKR1C1HTTALDH1A1TSHR
SCHEMBL4905770 0.82 TRPA1 (0.47) AKR1C3AKR1C1HTTALDH1A1CYP3A4
SCHEMBL4905786 0.82 TRPA1 (0.47) AKR1C3AKR1C1HTTALDH1A1CYP3A4
SCHEMBL4905778 0.82 TRPA1 (0.47) AKR1C3AKR1C1HTTALDH1A1CYP3A4
SCHEMBL11799882 0.82 AKR1C1 (0.48) AKR1C3AKR1C1HTTALDH1A1TSHR
SCHEMBL11799886 0.82 AKR1C1 (0.48) AKR1C3AKR1C1HTTALDH1A1TSHR
SCHEMBL24370519 0.81 MEN1 (0.46) AKR1C3RECQLMEN1KMT2ALMNA
SCHEMBL4998842 0.81 MEN1 (0.46) AKR1C3RECQLMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443056-B1 ODOURLESS SHEA BASED ESTERS AAK AB PUBL (SE) 2022-08-10 EP claimed
EP-2967038-B1 METHODS, COMPOUNDS AND COMPOSITIONS FOR REPELLING INSECTS AND ARACHNIDS NATIONAL CENTER FOR SCIENT RESEARCH DEMOKRITOS (GR) 2019-05-08 EP claimed
US-20160029643-A1 Methods, Compounds and Compositions for Repelling Insects and/or Arachnids NATIONAL CENTER FOR SCIENTIFIC RESEARCH "DEMOKRITOS" (GB) 2016-02-04 US claimed
EP-2967038-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR REPELLING INSECTS AND ARACHNIDS NATIONAL CENTER FOR SCIENTIFIC RESEARCH "DEMOKRITOS" (GR) 2016-01-20 EP claimed
WO-2014140314-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR REPELLING INSECTS AND/OR ARACHNIDS UNIVERSITE DE NEUCHATEL (CH) 2014-09-18 WO claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1967080-B1 Non-aldehyde cinnamon flavor and delivery systems therefor CADBURY ADAMS USA LLC (US) 2010-06-02 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
US-20070093558-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED, A UK CORPORATION 2007-04-26 US claimed
EP-1409605-A2 ELECTROSTATIC AEROSOL COMPOSITIONS Reckitt Benckiser (U.K.) LIMITED (GB) 2004-04-21 EP claimed
US-20030096878-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED 2003-05-22 US claimed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO claimed
EP-0428276-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 1998-09-16 EP claimed
US-20240099955-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF HTL BIOTECHNOLOGY INNOVATION INC. 2024-03-28 US disclosed
EP-4288084-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF Modern Meadow, Inc. (US) 2023-12-13 EP disclosed
CN-116847871-A Skin care compositions and methods of use 现代牧场股份有限公司 2023-10-03 CN disclosed
EP-1123950-A1 Method for preventing settlement of aquatic fouling organisms Nippon Paint Co., Ltd. (JP) 2001-08-16 EP disclosed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO disclosed
EP-0702065-A2 Method for preventing settlement of aquatic fouling organisms Nippon Paint Co., Ltd. (JP) 1996-03-20 EP disclosed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US 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-20160029643-A1 Methods, Compounds and Compositions for Repelling Insects and/or Arachnids ACHE, NISCH, BCHE AKR1C3 2129/4885AKR1C1 2378/4885HTT 3500/4885

“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.