SCHEMBL5160927

SCHEMBL5160927

CCOC(=O)CC(=O)c1ccc[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
POLB P06746 2/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5160589 0.84 TSHR (0.53) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL428389 0.79 RAB9A (0.53) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL5162812 0.79 TSHR (0.47) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL5162856 0.79 RAB9A (0.57) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL13222147 0.78 KDM4E (0.54) POLBGAAKDM4E
SCHEMBL13041458 0.77 TSHR (0.53) RAB9APOLBGAASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL29099350 0.77 RAB9A (0.51) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL5160090 0.77 ALDH1A1 (0.52) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL9664550 0.77 TSHR (0.56) RAB9APOLBGAASMN1; SMN2TSHR
SCHEMBL12847003 0.77 RAB9A (0.60) RAB9APOLBGAASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133402-A Coumarin carbazole photoinitiator capable of initiating polymerization by free radicals, preparation method and application thereof 同济大学 2022-03-04 CN disclosed
CN-114031622-A Coumarin carbazole photosensitizer capable of being polymerized by cationic initiation, preparation method and application thereof 同济大学 2022-02-11 CN disclosed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO RAB9A 3428/4885POLB 2040/4885GAA 1272/4885

“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.