SCHEMBL7122087

SCHEMBL7122087

CCCCC(O)(CC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ESR2 Q92731 3/20 0.45
CHRM3 P20309 4/20 0.43
SIGMAR1 Q99720 1/20 0.42
KIF11 P52732 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23013768 0.94 SIGMAR1 (0.45) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL27294657 0.92 MEN1 (0.44) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL62287 0.92 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL31590437 0.90 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL27973516 0.88 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19ESR2CHRM3
Alcohol SCHEMBL28670006 0.88 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL23014014 0.88 CYP2C19 (0.48) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL29703352 0.86 ESR2 (0.44) CYP1A2CYP2C9CYP2C19ESR2CHRM3
SCHEMBL29161136 0.86 SIGMAR1 (0.45) CYP1A2CYP2C9CYP2C19ESR2SIGMAR1
SCHEMBL28724610 0.86 SIGMAR1 (0.45) CYP1A2CYP2C9CYP2C19ESR2SIGMAR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221458-B2 Organic borate-based catalyst, method for preparing isobutene oligomer using the same and isobutene oligomer prepared thereby LG CHEM, LTD. (KR) 2025-02-11 US disclosed
CN-118542857-A Application of 1-phenyl-1-propanol in preparation of medicines for treating depression and/or anxiety 张利生 2024-08-27 CN disclosed
EP-4019128-B1 ORGANIC BORATE-BASED CATALYST, METHOD FOR PREPARING ISOBUTENE OLIGOMER BY USING SAME, AND ISOBUTENE OLIGOMER PREPARED THEREBY LG CHEMICAL LTD (KR) 2024-02-21 EP disclosed
CN-113661185-B Organoborate catalyst, process for producing isobutylene oligomer using the same, and isobutylene oligomer produced thereby 株式会社LG化学 2023-12-29 CN disclosed
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 US disclosed
US-20220204533-A1 Organic Borate-Based Catalyst, Method For Preparing Isobutene Oligomer Using The Same And Isobutene Oligomer Prepared Thereby LG CHEM, LTD. (KR) 2022-06-30 US disclosed
EP-4019128-A1 ORGANIC BORATE-BASED CATALYST, METHOD FOR PREPARING ISOBUTENE OLIGOMER BY USING SAME, AND ISOBUTENE OLIGOMER PREPARED THEREBY LG CHEM, LTD. (KR) 2022-06-29 EP disclosed
CN-113661185-A Organic borate catalyst, method for preparing isobutylene oligomer using the same, and isobutylene oligomer prepared thereby 株式会社LG化学 2021-11-16 CN disclosed
WO-2021034041-A1 ORGANIC BORATE-BASED CATALYST, METHOD FOR PREPARING ISOBUTENE OLIGOMER BY USING SAME, AND ISOBUTENE OLIGOMER PREPARED THEREBY 주식회사 엘지화학 2021-02-25 WO disclosed
US-6660884-B2 Catalyst promote synthesis of tertiary alcohols with enantioselectivity; Bicyclo(2.2.1)heptane-1-methane sulfonamide-N,N'-(1S,2S)-1,2-cyclohexanediylbis(2-hydroxy-7,7-dimethyl) -(1R,1'R,2S,2'S,4S,4'S) THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-12-09 US disclosed
US-20030191345-A1 CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2003-10-09 US disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 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 (4 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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 CYP1A2 537/4885CYP2C9 241/4885CYP2C19 970/4885
US-20030191345-A1 CATALYSTS, METHODS FOR MAKING SAID CATALYSTS, AND METHODS FOR MAKING CHIRAL COMPOUNDS WITH HIGH ENANTIOSELECTIVITY COASY, HMGCR, ALKBH1 CYP1A2 117/4885CYP2C9 58/4885CYP2C19 183/4885
US-20220204533-A1 Organic Borate-Based Catalyst, Method For Preparing Isobutene Oligomer Using The Same And Isobutene Oligomer Prepared Thereby OXER1, ORC3, OSBP CYP1A2 982/4885CYP2C9 1017/4885CYP2C19 1829/4885
US-12221458-B2 Organic borate-based catalyst, method for preparing isobutene oligomer using the same and isobutene oligomer prepared thereby OXER1, ORC3, OSBP CYP1A2 982/4885CYP2C9 1017/4885CYP2C19 1829/4885

“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.