SCHEMBL265820

SCHEMBL265820

CC(=O)CCc1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.62
▸ DRD2 P14416 2/20 0.55
▸ DRD1 P21728 2/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ CHRM2 P08172 2/20 0.55
▸ CHRM1 P11229 2/20 0.55
▸ CHRM3 P20309 2/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.53
▸ DRD4 P21917 1/20 0.50
▸ DRD5 P21918 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ SPR P35270 1/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRA2 P47869 1/20 0.49
▸ GABRB2 P47870 1/20 0.49

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
SCHEMBL19932503 0.89 HDAC6 (0.58) ALDH1A1DRD2DRD1TAAR1CHRM2
SCHEMBL18768957 0.88 ALDH1A1 (0.72) ALDH1A1IAPPKDM4ENPC1LMNA
SCHEMBL14935497 0.87 HDAC6 (0.65) ALDH1A1DRD2DRD1TAAR1CHRM2
SCHEMBL30692614 0.84 DRD2 (0.59) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL29822763 0.84 DRD2 (0.59) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL11756870 0.84 DRD2 (0.59) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL65250 0.82 KEAP1 (0.63) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL29563859 0.82 KEAP1 (0.63) DRD2DRD1TAAR1CHRM2CHRM1
SCHEMBL31336237 0.82 KEAP1 (0.63) DRD2DRD1TAAR1CHRM2CHRM1
Benzylacetone SCHEMBL27760585 0.82 ALDH1A1 (0.84) ALDH1A1HDAC6KDM4EMAPTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882307-A Method for dyeing fibres containing keratine HENKEL KGAA (DE) 2006-12-20 — — CN claimed
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 — — US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 — — US disclosed
US-11034725-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2020-09-10 — — US disclosed
US-20190041765-A1 ELECTROPHOTOGRAPHIC INK INCLUDING A VOLATILE FRAGRANCE HP INDIGO B.V. (NL) 2019-02-07 — — US disclosed
CN-109265330-A A kind of preparation method of 4-(4-hydroxyphenyl)-2-butanone 广州中大南沙科技创新产业园有限公司 2019-01-25 — — CN disclosed
CN-108530280-A The method of acid immobilized ionic liquid-catalyzed synthesis raspberry ketone 浙江工业大学 2018-09-14 — — CN disclosed
WO-2017152964-A1 ELECTROPHOTOGRAPHIC INK INCLUDING A VOLATILE FRAGRANCE HP INDIGO B.V. (NL) 2017-09-14 — — WO disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 — — US disclosed
EP-1133476-A1 IMINOGUANIDINE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES Aventis Pharma S.A. (FR) 2001-09-19 — — EP disclosed
WO-2000031044-A1 IMINOGUANIDINE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2000-06-02 — — WO disclosed
WO-2000015617-A1 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-03-23 — — WO disclosed
CN-1230096-A Chewing gum with extended and improved flavor containing dipeptide sweetener HOLLAND SWEETENER CO (NL) 1999-09-29 — — CN disclosed
US-5763368-A AQUEOUS SOLUTION OF QUATERNARY AMMONIUM COMPOUND AND INTENSIFIER HALLIBURTON ENERGY SERVICES, INC. (US) 1998-06-09 — — US disclosed
US-5097375-A CONTAINER WITH RECORDING MEDIUM AND HAVING A FRAGRANCE EMITTING MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
US-5097376-A CONTAINER WITH RECORDING MEDIUM HAVING FRAGRANCE MATERIAL IN OR ON THE RECORDING MEDIUM BASF AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
EP-0386584-A1 Container with data carrier BASF Aktiengesellschaft (DE) 1990-09-12 — — EP disclosed
US-4309422-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-01-05 — — US disclosed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 — — 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 (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-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 ALDH1A1 4023/4885DRD2 4852/4885DRD1 4870/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 ALDH1A1 359/4885DRD2 414/4885DRD1 236/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 ALDH1A1 4023/4885DRD2 4852/4885DRD1 4870/4885

“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.

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