SCHEMBL512864

SCHEMBL512864

CCC(C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
GAA P10253 2/20 0.68
POLB P06746 4/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 1/20 0.66
GLA P06280 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
HPGD P15428 1/20 0.66
ALOX12 P18054 1/20 0.66
NFKB1 P19838 1/20 0.66
APEX1 P27695 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HIF1A Q16665 1/20 0.55
DNMT1 P26358 7/20 0.53
AADAT Q8N5Z0 1/20 0.53
CYP2C19 P33261 1/20 0.52

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
SCHEMBL20835844 1.00 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL32691229 1.00 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL10201311 1.00 ALDH1A1 (0.68) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL2888134 0.86 POLB (0.71) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL30165546 0.86 POLB (0.71) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14817758 0.86 KMT2A (0.60) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL27518050 0.86 KMT2A (0.60) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL3716759 0.86 ALDH1A1 (0.54) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL10898781 0.85 KDM4E (0.57) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL4713730 0.85 ALDH1A1 (0.59) ALDH1A1GAAPOLBKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112312902-B Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2022-02-18 CN claimed
CN-112312902-A Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2021-02-02 CN claimed
US-7723425-B2 Pigment compositions with modified ATRP copolymer dispersants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US claimed
CN-1308627-A 11-Aryl-benzo[b]naphtho[2,3-d]furans and 11-aryl-aryl-benzo[b]anphtho[2,3-d]thiophenes useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PROD (US) 2001-08-15 CN claimed
EP-3924349-B1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES THE ROSKAMP INST (US) 2025-06-25 EP disclosed
US-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases THE ROSKAMP INST (US) 2022-03-17 US disclosed
CN-112312902-B Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2022-02-18 CN disclosed
CN-113668004-A Method for electrochemically synthesizing non-natural amino acid derivatives 浙江工业大学 2021-11-19 CN disclosed
CN-113614074-A Amino acid derivatives for the treatment of inflammatory diseases 罗斯坎普研究所 2021-11-05 CN disclosed
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN disclosed
CN-112312902-A Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids 斯克里普斯研究学院 2021-02-02 CN disclosed
EP-1129076-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-05 EP disclosed
WO-2000029380-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-05-25 WO disclosed
EP-0473637-B1 PEROXYACID MANUFACTURE SOLVAY INTEROX LTD (GB) 1995-03-22 EP disclosed
US-5326904-A For low temperature detergents SOLVAY INTEROX LIMITED (GB) 1994-07-05 US disclosed
US-5220052-A Controlling the rate of addition of a solution of carboxylic acid in concentrated sulfuric acid to Caro's solution having a particular range of components, i.e. hydrogen peroxide, water and sulfuric acid INTEROX CHEMICALS LIMITED (GB) 1993-06-15 US disclosed
EP-0473637-A1 PEROXYACID MANUFACTURE. INTEROX CHEMICALS LTD (GB) 1992-03-11 EP disclosed
US-5010204-A Glaucoma treatment INSTITUTO CHIMICO INTERNAZIONALE DR. GIUSEPPE RENDE S.R.L. (IT) 1991-04-23 US disclosed
WO-1990014336-A1 PEROXYACID MANUFACTURE INTEROX CHEMICALS LIMITED (GB) 1990-11-29 WO 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-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR ALDH1A1 2551/4885GAA 3678/4885POLB 2693/4885
US-20220081415-A1 Amino Acid Derivatives for the Treatment of Inflammatory Diseases NFKBIA, NFRKB, IKBKG ALDH1A1 4214/4885GAA 828/4885POLB 634/4885

“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.