SCHEMBL1716474

SCHEMBL1716474

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
RECQL P46063 1/20 0.51
AKR1C3 P42330 1/20 0.50
GRIK1 P39086 3/20 0.47
AKR1C1 Q04828 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.42
GRIK2 Q13002 1/20 0.42
MME P08473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 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
SCHEMBL10451936 1.00 CYP3A4 (0.58) CYP3A4CYP2C9RECQLAKR1C3GRIK1
SCHEMBL21264081 1.00 CYP3A4 (0.58) CYP3A4CYP2C9RECQLAKR1C3GRIK1
SCHEMBL2138074 0.89 CYP3A4 (0.62) CYP3A4CYP2C9RECQLAKR1C3GRIK1
SCHEMBL10410676 0.86 CYP3A4 (0.54) CYP3A4CYP2C9RECQLAKR1C3GRIK1
SCHEMBL28317118 0.86 RECQL (0.49) CYP3A4CYP2C9RECQLAKR1C3GRIK1
SCHEMBL10409218 0.84 CYP3A4 (0.53) CYP3A4CYP2C9RECQLAKR1C3GRIK1
SCHEMBL14659091 0.84 GRIK1 (0.68) CYP3A4CYP2C9AKR1C3GRIK1AKR1C1
SCHEMBL10451720 0.83 RECQL (0.50) CYP3A4CYP2C9RECQLAKR1C3MEN1
SCHEMBL10451721 0.83 RECQL (0.50) CYP3A4CYP2C9RECQLAKR1C3MEN1
SCHEMBL1716809 0.82 CYP3A4 (0.54) CYP3A4CYP2C9RECQLAKR1C3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
EP-0428276-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 1998-09-16 EP claimed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
US-10390536-B2 Methods, compounds and compositions for repelling insects and/or arachnids NATIONAL CENTRE FOR SCIENTIFIC RESEARCH "DEMOKRITOS" (GR) 2019-08-27 US disclosed
EP-2967038-B1 METHODS, COMPOUNDS AND COMPOSITIONS FOR REPELLING INSECTS AND ARACHNIDS NATIONAL CENTER FOR SCIENT RESEARCH DEMOKRITOS (GR) 2019-05-08 EP disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
US-20170231221-A1 Methods, Compounds and Compositions for Repelling Insects and/or Arachnids NATIONAL CENTER FOR SCIENTIFIC RESEARCH "DEMOKRITOS" (GR) 2017-08-17 US disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO disclosed
EP-0185380-B1 THIOL BASED COLLAGENASE INHIBITORS G.D. Searle & Co. (US) 1990-04-11 EP disclosed
US-4681966-A ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1987-07-21 US disclosed
EP-0185380-A2 Thiol based collagenase inhibitors G.D. Searle & Co. (US) 1986-06-25 EP disclosed
US-4595700-A Thiol based collagenase inhibitors G. D. SEARLE & CO. (US) 1986-06-17 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 (3 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 CYP3A4 2028/4885CYP2C9 1121/4885RECQL 2679/4885
US-10390536-B2 Methods, compounds and compositions for repelling insects and/or arachnids ACHE, NISCH, BCHE CYP3A4 2094/4885CYP2C9 1262/4885RECQL 2751/4885
US-20170231221-A1 Methods, Compounds and Compositions for Repelling Insects and/or Arachnids ACHE, NISCH, BCHE CYP3A4 2028/4885CYP2C9 1121/4885RECQL 2679/4885

“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.