SCHEMBL9533934

SCHEMBL9533934

CCCC(=O)c1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
ALOX15 P16050 2/20 0.58
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.50
KDM4E B2RXH2 3/20 0.49
RECQL P46063 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
ALOX5 P09917 1/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1C3 P42330 1/20 0.47
MYC P01106 1/20 0.46

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
SCHEMBL4932617 0.88 KDM4E (0.58) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL29619308 0.88 KDM4E (0.58) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL5440917 0.88 KDM4E (0.58) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL5444639 0.86 KDM4E (0.57) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL5444333 0.86 KDM4E (0.57) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL5436833 0.86 KDM4E (0.57) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL5438876 0.86 KDM4E (0.57) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
SCHEMBL9625496 0.86 MEN1 (0.53) ALDH1A1ALOX15KDM4ERECQLMEN1
SCHEMBL5436539 0.86 KDM4E (0.57) ALDH1A1ALOX15HPGDL3MBTL1KDM4E
Phthalic Acid SCHEMBL8155 0.85 ALDH1A1 (0.61) ALDH1A1ALOX15HPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623456-B Preparation method of butylphthalide and pharmaceutical intermediate thereof 齐鲁制药有限公司 2021-12-31 CN claimed
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-108623456-B Preparation method of butylphthalide and pharmaceutical intermediate thereof 齐鲁制药有限公司 2021-12-31 CN disclosed
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
EP-0575425-A1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-12-29 EP disclosed
WO-1992016207-A1 USE OF OXAZOLO-[2,3-a]ISOINDOLE AND IMIDAZO[2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO[2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed
US-4058529-A Polycyclic amino derivatives of pyrrolidone and piperidone CIBA-GEIGY CORPORATION (US) 1977-11-15 US 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 (1 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-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 ALDH1A1 63/4885ALOX15 663/4885HPGD 778/4885

“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.