SCHEMBL8031529

SCHEMBL8031529

CCCCC1(CCCC)OC(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 4/20 0.44
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.39
CYP3A4 P08684 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
TYMS P04818 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
SCHEMBL31628334 1.00 NPSR1 (0.51) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28763781 0.95 MEN1 (0.52) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL547786 0.95 MEN1 (0.51) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL27857932 0.87 NPSR1 (0.42) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28582812 0.85 CYP2C9 (0.50) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL6739516 0.82 SMN1; SMN2 (0.50) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL25385408 0.80 NPSR1 (0.49) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL25387968 0.80 NPSR1 (0.49) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL21325292 0.80 NPSR1 (0.49) NPSR1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL29502553 0.80 NPSR1 (0.49) NPSR1CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115901976-B Detection method for measuring 3-butyl-1 (3H) -isobenzofuranone related substances by adopting HPLC 河北菲尼斯生物技术有限公司 2025-03-25 CN 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
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
CN-111574474-B Micromolecular compound for inhibiting iron death and preparation method and application thereof 成都恒昊创新科技有限公司 2023-04-11 CN disclosed
CN-115932126-A Detection method for measuring racemization-3-n-butylphthalide related substances by HPLC 河北菲尼斯生物技术有限公司 2023-04-07 CN disclosed
CN-115901976-A Detection method for measuring 3-butyl-1 (3H) -isobenzofuranone related substances by adopting HPLC 河北菲尼斯生物技术有限公司 2023-04-04 CN disclosed
US-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2021-07-20 US disclosed
CN-111574474-A Micromolecular compound for inhibiting iron death and preparation method and application thereof 成都恒昊投资有限公司 2020-08-25 CN disclosed
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 disclosed
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 disclosed
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-01-31 US disclosed
JP-2000100447-A FUEL CELL OF HIGH MOLECULE SOLID ELECTROLYTE TYPE TANAKA KIKINZOKU KOGYO KK 2000-04-07 JP 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-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer OR10J3, POF1B, ORC3 NPSR1 4009/4885CYP2C9 911/4885CYP2C19 1352/4885
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER OR10J3, POF1B, ORC3 NPSR1 4009/4885CYP2C9 911/4885CYP2C19 1352/4885

“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.