SCHEMBL697688

SCHEMBL697688

CC(C)(C)c1ccc(CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TYR P14679 1/20 0.48
ESRRG P62508 4/20 0.47
SLC13A5 Q86YT5 2/20 0.47
PPARA Q07869 1/20 0.47
ESRRB O95718 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
EPHX2 P34913 1/20 0.44
GRIA4 P48058 1/20 0.44
TSHR P16473 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44

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
SCHEMBL12032216 0.94 RXRA (0.49) CA2KCNH2LMNATDP1TYR
SCHEMBL1219727 0.86 KCNH2 (0.58) CA2KCNH2LMNATYRESRRG
SCHEMBL6434322 0.86 CA2 (0.52) CA2KCNH2TDP1ESRRGPPARA
SCHEMBL7456580 0.85 KCNH2 (0.59) KCNH2LMNATYRESRRGSLC13A5
SCHEMBL6025925 0.85 KCNH2 (0.61) CA2KCNH2LMNAESRRGSLC13A5
SCHEMBL23355560 0.84 CA2 (0.50) CA2KCNH2TDP1SLC13A5PPARA
SCHEMBL27783728 0.84 APP (0.66) PPARAEPHX2
SCHEMBL6271375 0.83 KCNH2 (0.59) CA2KCNH2LMNAESRRGSLC13A5
SCHEMBL9592541 0.83 KCNH2 (0.59) CA2KCNH2LMNAESRRGSLC13A5
SCHEMBL1332761 0.82 CA2 (0.48) CA2KCNH2TDP1PPARATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993945-A Acetophenone hydrazone compound 上海泰初化工技术有限公司 2024-11-22 CN claimed
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. 2024-05-09 US claimed
WO-2022188207-A1 SILK PROTEIN COATING SOLUTION AND APPLICATION THEREOF 浙江凯喜雅国际股份有限公司 2022-09-15 WO claimed
CN-113106756-A Fibroin coating liquid and application thereof in fiber or fabric surface modification 浙江凯喜雅国际股份有限公司 2021-07-13 CN claimed
CN-111039750-B Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-12-22 CN claimed
CN-107537565-B Amphoteric crosslinked polymer supported noble metal catalyst, preparation and alcohol oxidation method 中国科学院大连化学物理研究所 2020-06-19 CN claimed
CN-111039750-A Method for preparing 4-tert-butyl phenethyl alcohol 盐城工学院 2020-04-21 CN claimed
CN-107754856-B Preparation of macrocyclic compound supported gold catalyst, gold catalyst and application 中国科学院大连化学物理研究所 2020-03-27 CN claimed
CN-107349960-B Nitrogen-containing cross-linked polymer supported nano-gold catalyst, preparation thereof and application thereof in alcohol selective oxidation reaction in aqueous medium 中国科学院大连化学物理研究所 2020-02-07 CN claimed
CN-118993945-A Acetophenone hydrazone compound 上海泰初化工技术有限公司 2024-11-22 CN disclosed
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. 2024-05-09 US disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
CN-116947839-A Amino alcohol compound, oxazoline compound, preparation method and application thereof 中国科学院福建物质结构研究所 2023-10-27 CN disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-5114939-A Amine or ether substitutes compounds of quinoline or cinnoline DOWELANCO (US) 1992-05-19 US disclosed
US-5034393-A Fungicides for plants DOWELANCO (US) 1991-07-23 US disclosed
EP-0414386-A1 Condensed pyrimidine derivates DowElanco (US) 1991-02-27 EP disclosed
EP-0380264-A2 Halogenation process DowElanco (US) 1990-08-01 EP disclosed
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 EP disclosed
EP-0326331-A2 Substituted quinolines and cinnolines DowElanco (US) 1989-08-02 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 (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-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists ADORA1, ADORA3, ADORA2A CA2 897/4885KCNH2 204/4885LMNA 4527/4885
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH WASHC4, DERA, ADH1C CA2 996/4885KCNH2 2296/4885LMNA 4046/4885

“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.