SCHEMBL4899583

SCHEMBL4899583

O=C(O)CC1OC(=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.69
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 1/20 0.61
ATM Q13315 1/20 0.60
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RECQL P46063 1/20 0.57
TSHR P16473 2/20 0.55
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL6089289 0.86 ALDH1A1 (0.61) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL11354000 0.85 ALDH1A1 (0.65) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL10686326 0.84 ALDH1A1 (0.60) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL13593519 0.84 LMNA (0.63) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL19302753 0.83 KDM4E (0.55) APEX1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL11113459 0.83 APEX1 (0.51) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL28111637 0.81 ALDH1A1 (0.57) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL17580983 0.81 APEX1 (0.67) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL18132383 0.81 LMNA (0.63) APEX1ALDH1A1HSD17B10ATMLMNA
SCHEMBL7403091 0.80 LMNA (0.59) APEX1ALDH1A1HSD17B10ATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111415-B Dendrobium alkaloid derivative, preparation method and medical application 安徽中医药大学 2022-08-23 CN disclosed
CN-104974221-B Dipeptide and tripeptide proteasome inhibitors and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2020-10-23 CN disclosed
CN-106831389-B Method for producing carboxylic acid compound 中国科学技术大学 2020-03-31 CN disclosed
CN-106831389-A The preparation method of carboxylic acid compound 中国科学技术大学 2017-06-13 CN disclosed
US-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 US disclosed
US-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 US disclosed
US-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-03-31 US disclosed
EP-2994466-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-03-16 EP disclosed
CN-105164118-A Antibacterial phthalide derivatives ACTELION PHARMACEUTICALS LTD 2015-12-16 CN disclosed
CN-104974221-A Dipeptide and tripeptide proteasome inhibitors as well as preparation method and pharmaceutical application thereof INST MATERIA MEDICA CAMS 2015-10-14 CN disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO disclosed
US-5430056-A Treatment of disorders of central nervous, cardiovascular and endocrine systems DISCOVERY THERAPEUTICS, INC. (US) 1995-07-04 US disclosed
US-5358971-A For disorders of CNS, cardiovascular and endocrine systems, inducing anorexia and weight loss WHITBY RESEARCH, INC. (US) 1994-10-25 US disclosed
US-5274003-A A 3-naphthyloxy- or -thioaklyleneamino-8-hydroxytetralin derivative WHITBY RESEARCH, INC. (US) 1993-12-28 US disclosed
EP-0463119-A4 SUBSTITUTED 2-AMINOTETRALINS 1992-01-22 EP disclosed
EP-0463119-A1 use of SUBSTITUTED 2-AMINOTETRALINS for the preparation of a medicament for inducing anorexia or weight loss. Whitby Research Incorporated (US) 1992-01-02 EP disclosed
WO-1991000727-A1 SUBSTITUTED 2-AMINOTETRALINS WHITBY RESEARCH, INC. (US) 1991-01-24 WO disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 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 (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-20160090383-A1 ANTIBACTERIAL PHTHALIDE DERIVATIVES MRPL21, MAPRE1, HDAC6 APEX1 2726/4885ALDH1A1 771/4885HSD17B10 1715/4885

“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.