SCHEMBL2595375

SCHEMBL2595375

CC(C)(C)CC(C)(C)c1ccc(O)c(-c2cccc3[nH]nnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
SHBG P04278 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36
DRD1 P21728 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SLC6A4 P31645 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
SCHEMBL29238423 0.98 CYP3A4 (0.38) CYP3A4CYP2D6HIF1ASHBGMEN1
SCHEMBL30987016 0.98 CYP3A4 (0.38) CYP3A4CYP2D6HIF1ASHBGMEN1
SCHEMBL28362300 0.91 CNR1 (0.35) CYP3A4CYP2D6HIF1ASHBGMEN1
SCHEMBL31570219 0.86 MEN1 (0.40) CYP3A4CYP2D6MEN1KMT2AMAPT
SCHEMBL4451239 0.86 MEN1 (0.40) CYP3A4CYP2D6MEN1KMT2AMAPT
SCHEMBL31570218 0.86 MEN1 (0.40) CYP3A4CYP2D6MEN1KMT2AMAPT
SCHEMBL14778442 0.85 SHBG (0.32) CYP3A4CYP2D6HIF1ASHBGMEN1
SCHEMBL4409978 0.84 CNR1 (0.50) CNR1CNR2
SCHEMBL7099284 0.84 CYP3A4 (0.38) CYP3A4CYP2D6HIF1ASHBGMEN1
SCHEMBL225143 0.83 IDH1 (0.35) CYP3A4CYP2D6HIF1ASHBGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173451-A1 FRAGRANCE COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME Exuud, Inc. 2024-05-30 US claimed
CN-117844090-A Cosmetic packaging hose and preparation method thereof 厦门鹏拓塑胶制品有限公司 2024-04-09 CN claimed
EP-4294465-A1 FRAGRANCE COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME Neerja Ventures, LLC (US) 2023-12-27 EP claimed
CN-114907517-B Layer thickness controllable electrolyte, slurry and preparation method of honeycomb solid oxide fuel cell 上海应用技术大学 2023-07-28 CN claimed
WO-2022192215-A1 FRAGRANCE COMPOSITIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME NEERJA VENTURES, LLC (US) 2022-09-15 WO claimed
CN-113304054-A Dental self-acid-etching adhesive with remineralization effect and preparation method thereof 陕西恒远生物科技有限公司 2021-08-27 CN claimed
CN-111395467-B Stone table top reinforcing method and under-table basin construction method 金牌厨柜家居科技股份有限公司 2021-07-20 CN claimed
CN-111560164-A High-toughness weather-resistant high-temperature-resistant halogen-free flame-retardant polyphenyl ether composite material and preparation method thereof 深圳市兴盛迪新材料有限公司 2020-08-21 CN claimed
CN-111395467-A Stone table top reinforcing method and under-table basin construction method 厦门金牌厨柜股份有限公司 2020-07-10 CN claimed
CN-111363264-A TPE modified material 昆山市品虹橡塑有限公司 2020-07-03 CN claimed
EP-2945601-B1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND A LIPOPHILIC BENZOTRIAZOLE UV-SCREENING AGENT AND/OR A BIS-RESORCINYL TRIAZINE COMPOUND OREAL (FR) 2018-08-22 EP claimed
CN-107949584-A Polymerizable composition for optical material, the optical material and plastic lens obtained by said composition 三井化学株式会社 2018-04-20 CN claimed
US-9549886-B2 Personal care formulations containing alkyl ketal esters and methods of manufacture GFBIOCHEMICALS LIMITED (MT) 2017-01-24 US claimed
CN-106009284-A Ultraviolet polypropylene material and preparation method thereof 安徽海纳川塑业科技有限公司 2016-10-12 CN claimed
EP-2945601-A2 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND A LIPOPHILIC BENZOTRIAZOLE UV-SCREENING AGENT AND/OR A BIS-RESORCINYL TRIAZINE COMPOUND L'Oréal (FR) 2015-11-25 EP claimed
US-20150064124-A1 PERSONAL CARE FORMULATIONS CONTAINING ALKYL KETAL ESTERS AND METHODS OF MANUFACTURE SEGETIS, INC. (US) 2015-03-05 US claimed
WO-2014111563-A2 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND A LIPOPHILIC BENZOTRIAZOLE UV-SCREENING AGENT AND/OR A BIS-RESORCINYL TRIAZINE COMPOUND L'OREAL (FR) 2014-07-24 WO claimed
US-20110300083-A1 PERSONAL CARE FORMULATIONS CONTAINING ALKYL KETAL ESTERS AND METHODS OF MANUFACTURE SEGETIS, INC. (US) 2011-12-08 US claimed
EP-1027882-A1 Sunscreening compositions containing a benzotriazole derivative and a compound containing benzoazolyle or benzodiazolyle groups L'OREAL (FR) 2000-08-16 EP claimed
EP-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP 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 (2 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-20110300083-A1 PERSONAL CARE FORMULATIONS CONTAINING ALKYL KETAL ESTERS AND METHODS OF MANUFACTURE KAT7, CUTA, KAT6B CYP3A4 2013/4885CYP2D6 1438/4885HIF1A 1861/4885
US-20150064124-A1 PERSONAL CARE FORMULATIONS CONTAINING ALKYL KETAL ESTERS AND METHODS OF MANUFACTURE KAT7, CUTA, KAT6B CYP3A4 2013/4885CYP2D6 1438/4885HIF1A 1861/4885

“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.