SCHEMBL8958450

SCHEMBL8958450

O=c1oc(=O)c2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 5/20 0.62
MAOA P21397 5/20 0.62
CYP3A4 P08684 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GLA P06280 2/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
PGAM1 P18669 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NQO1 P15559 2/20 0.47
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 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
Bicarbonate SCHEMBL6551886 0.92 KDM4E (0.54) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL891550 0.85 MAOA (0.68) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL21961896 0.85 ELANE (0.56) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL9787769 0.79 MAOA (0.74) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL30205812 0.79 MAOA (0.57) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL339615 0.79 MAOA (0.57) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL304367 0.78 KMT2A (0.62) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL29709713 0.78 KMT2A (0.62) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL29416517 0.78 KMT2A (0.62) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2
SCHEMBL4696277 0.77 MAOA (0.90) KDM4EALDH1A1MAOACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466765-B Sodium 8- (2-hydroxybenzoyl) octoate and synthetic method thereof 成都道合尔医药技术有限公司 2024-03-15 CN disclosed
CN-117466765-A Sodium 8- (2-hydroxybenzoyl) octoate and synthetic method thereof 成都道合尔医药技术有限公司 2024-01-30 CN disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-5583235-A ALKENYLATION, CYCLIZATION SHAMAN PHARMACEUTICALS, INC. (US) 1996-12-10 US disclosed
WO-1995024404-A1 PREPARATION OF SYMMETRICAL AND UNSYMMETRICAL DITHIIN COMPOUNDS SHAMAN PHARMACEUTICALS, INC. (US) 1995-09-14 WO disclosed
EP-0283775-B1 Use of capping agents to improve the stability of polyphenylene ether to oxidative degradation. GEN ELECTRIC (US) 1994-06-22 EP disclosed
EP-0283775-A1 Use of capping agents to improve the stability of polyphenylene ether to oxidative degradation. GENERAL ELECTRIC COMPANY (US) 1988-09-28 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 KDM4E 2224/4885ALDH1A1 2233/4885MAOA 523/4885

“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.