SCHEMBL4195577

SCHEMBL4195577

CCC(C)C1OC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 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
SCHEMBL30366625 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10POLBKDM4ELMNA
SCHEMBL20215642 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10POLBKDM4ELMNA
SCHEMBL22540867 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPT
SCHEMBL22540870 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPT
SCHEMBL1107373 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAMEN1
SCHEMBL2606679 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAMEN1
SCHEMBL11617824 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10POLBKDM4ELMNA
SCHEMBL20215636 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10POLBKDM4ELMNA
SCHEMBL4472838 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBKDM4ELMNA
SCHEMBL18409005 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874453-A Butylphthalide impurity compound, preparation method and application thereof 广东隆赋药业股份有限公司 2023-10-13 CN claimed
CN-110320293-B Method for determining residual solvent in phthalide compound 弘和制药有限公司 2022-04-12 CN claimed
CN-110221009-B Method for measuring butylphthalide related substances by HPLC 北京澳合药物研究院有限公司 2020-04-17 CN claimed
CN-110108818-B High performance liquid chromatography for high performance separation detection of phthalide derivatives and application thereof 北京澳合药物研究院有限公司 2020-03-17 CN claimed
CN-110320293-A A kind of method of residual solvent in measurement phthalide analog compound 北京澳合药物研究院有限公司 2019-10-11 CN claimed
CN-110221009-A A kind of HPLC measurement method of the butylphenyl phthaleine in relation to substance 北京澳合药物研究院有限公司 2019-09-10 CN claimed
CN-110108818-A A kind of high performance liquid chromatography and its application efficiently separating detection phthalide derivant 北京澳合药物研究院有限公司 2019-08-09 CN claimed
CN-101735185-B Racemization method for optically active 3-butyl phthalide ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD CSPC PHARMACEUTICAL GROUP LTD 2012-01-25 CN claimed
CN-101735185-A Racemization method for optically active 3-butyl phthalide ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD 2010-06-16 CN claimed
CN-1209356-C Method for splitting antipode of 3-butylbenzene phthalein DALIAN CHEMICAL PHYSICS INST (CN) 2005-07-06 CN claimed
CN-1539835-A Method for splitting antipode of 3-butylbenzene phthalein 中国科学院大连化学物理研究所 2004-10-27 CN claimed
US-12616730-B2 Topical composition comprising an extract of combined herbs comprising longanae arillus for the treatment or alleviation of skin ulcer and the use thereof MEDIHELPLINE CO., LTD (KR) 2026-05-05 US disclosed
CN-118393015-A Detection method of butylphthalide related substances 广东隆赋药业股份有限公司 2024-07-26 CN disclosed
US-11814352-B2 Salts formed by 2-(1-acyloxy-n-pentyl) benzoic acid and basic amino acid or aminoguanidine, and preparation method and application thereof JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2023-11-14 US disclosed
CN-116874453-A Butylphthalide impurity compound, preparation method and application thereof 广东隆赋药业股份有限公司 2023-10-13 CN disclosed
EP-1539205-A1 METHOD FOR THE PREPARATION OF PHYTOPROGESTOGENIC EXTRACTS FROM RHIZOMA LIGUSTICUM CHUANXIONG AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2005-06-15 EP disclosed
CN-1539835-A Method for splitting antipode of 3-butylbenzene phthalein 中国科学院大连化学物理研究所 2004-10-27 CN disclosed
WO-2004017983-A1 METHOD FOR THE PREPARATION OF PHYTOPROGESTOGENIC EXTRACTS FROM RHIZOMA LIGUSTICUM CHUANXIONG AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2004-03-04 WO disclosed
CN-1136209-C Process for preparing optically active 3-n-butyl phenylphthaleine 中国医学科学院药物研究所 2004-01-28 CN disclosed
CN-1283621-A Process for preparing optically active 3-n-butyl phenylphthaleine INST OF MEDICINAL MATERIALS CH (CN) 2001-02-14 CN 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-11814352-B2 Salts formed by 2-(1-acyloxy-n-pentyl) benzoic acid and basic amino acid or aminoguanidine, and preparation method and application thereof KCNB1, KCNMB1, KCNAB1 ALDH1A1 3520/4885HSD17B10 1671/4885POLB 471/4885
US-12616730-B2 Topical composition comprising an extract of combined herbs comprising longanae arillus for the treatment or alleviation of skin ulcer and the use thereof CUTA, VEGFA, MMP8 ALDH1A1 905/4885HSD17B10 3652/4885POLB 2191/4885

“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.