SCHEMBL4764754

SCHEMBL4764754

CCC(=O)c1cc(OC)c(OC)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.72
CYP3A4 P08684 2/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.49
PAX8 Q06710 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 3/20 0.44
MAPT P10636 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
SCHEMBL17746918 0.91 HMGCR (0.78) HMGCRCYP3A4KMT2AMEN1HTT
SCHEMBL8893882 0.86 HMGCR (0.56) HMGCRCYP3A4KMT2AMEN1PAX8
SCHEMBL22840674 0.86 HMGCR (0.77) HMGCRCYP3A4KMT2AMEN1HTT
SCHEMBL11342543 0.86 HMGCR (0.61) HMGCRCYP3A4KMT2AMEN1HTT
SCHEMBL7460397 0.85 CYP3A4 (0.59) HMGCRCYP3A4KMT2AMEN1PAX8
SCHEMBL27675292 0.85 HMGCR (0.54) HMGCRCYP3A4KMT2AMEN1
SCHEMBL8895935 0.85 HMGCR (0.54) HMGCRCYP3A4ALDH1A1GAA
SCHEMBL13284211 0.84 HMGCR (0.68) HMGCRCYP3A4KMT2AMEN1HTT
SCHEMBL27997509 0.84 HMGCR (0.57) HMGCRCYP3A4KMT2AMEN1PAX8
SCHEMBL9720676 0.84 HMGCR (0.58) HMGCRCYP3A4KMT2AMEN1HTT

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
CN-120025234-A Synthesis method of alpha-asarone 湖南威特制药股份有限公司 2025-05-23 CN claimed
CN-110128248-A It is a kind of green simplicity prepare alpha-ararin technique 承德石油高等专科学校 2019-08-16 CN claimed
CN-102199077-B Method for producing (E)-2,4,5-trimethoxy-1-propenylbenzene LU CHAO 2013-01-23 CN claimed
CN-102199077-A Method for producing (E)-2,4,5-trimethoxy-1-propenylbenzene CHAO LU 2011-09-28 CN claimed
CN-101891604-A Method for synthesizing 2,4,5-trimethoxyethylphenylketone intermediate of alpha-asarin GUANGXI TRADITIONAL CHINESE MEDICAL UNIVERSITY 2010-11-24 CN claimed
CN-101195562-A Novel method for synthesizing alpha-asarone GUANGXI TRADITIONAL CHINESE ME (CN) 2008-06-11 CN claimed
EP-1487770-B1 FORMATION OF NEOLIGNAN BY DDQ MEDIATED DIMERISATION OF DIHYDROASARONE COUNCIL SCIENT IND RES (IN) 2007-12-12 EP claimed
US-6969778-B2 DDQ mediated one step dimerization of β-asarone or β-asarone rich Acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-11-29 US claimed
US-20040049085-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2004-03-11 US claimed
WO-2003082786-A1 A PROCESS FOR THE PREPARATION OF PHARMACOLOGICALLY ACTIVE ALPHA-ASARONE FROM TOXIC BETA-ASARONE RICH ACORUS CALAMUS OIL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-09 WO claimed
US-6590127-B1 Formation of alpha-asarone, isoacoramone and 2,4,5-trimethoxycinnamaldehyde in one step process via 2,3-dichloro-5,6-dicyano-1,4-benzoquinone assisted dehydrogenation/oxidation of 2,4,5-trimethoxyphenylpropane COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-07-08 US claimed
CN-120025234-A Synthesis method of alpha-asarone 湖南威特制药股份有限公司 2025-05-23 CN disclosed
CN-120025234-A Synthesis method of alpha-asarone 湖南威特制药股份有限公司 2025-05-23 CN disclosed
CN-110183431-A One kind is for liver disease or the compound of prevention 江苏新元素医药科技有限公司 2019-08-30 CN disclosed
CN-110128248-A It is a kind of green simplicity prepare alpha-ararin technique 承德石油高等专科学校 2019-08-16 CN disclosed
US-20030113275-A1 Process for the preparation of 1-Propyl-2, 4, 5- trimethoxybenzene from toxic beta-asarone of Acorus calamus or from crude calamus oil containing beta-asarone COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-06-19 US disclosed
US-6528041-B2 Organoleptic COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-03-04 US disclosed
US-20020035299-A1 Process for the preparation of 1-Propyl-2, 4, 5-trimethoxybenzene from toxic beta-asarone of acorus calamus or from crude calamus oil containing beta-asarone COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2002-03-21 US disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0770601-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-02 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 (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-20040049085-A1 DDQ mediated one step dimerisation of beta-asarone or beta-asarone rich acorus calamus oil in the formation of novel neolignan DHPS, PTGES, PTGIS HMGCR 467/4885CYP3A4 254/4885KMT2A 2954/4885
US-20020035299-A1 Process for the preparation of 1-Propyl-2, 4, 5-trimethoxybenzene from toxic beta-asarone of acorus calamus or from crude calamus oil containing beta-asarone ADRA2B, CYP1B1, ADRB1 HMGCR 365/4885CYP3A4 47/4885KMT2A 3577/4885
US-20030113275-A1 Process for the preparation of 1-Propyl-2, 4, 5- trimethoxybenzene from toxic beta-asarone of Acorus calamus or from crude calamus oil containing beta-asarone ADRA2B, CYP1B1, ADRB1 HMGCR 348/4885CYP3A4 46/4885KMT2A 3488/4885

“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.