SCHEMBL4998340

SCHEMBL4998340

CCC(C(=O)O)C(=O)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SLC1A1 P43005 3/20 0.44
GRM5 P41594 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL21048731 0.88 NPC1 (0.49) NPC1MAPTTSHRALDH1A1SLC1A1
SCHEMBL10467556 0.84 HSD11B1 (0.49) GRM5KMT2A
SCHEMBL7536629 0.81 MAPT (0.51) NPC1MAPTTSHRALDH1A1SLC1A1
SCHEMBL10165853 0.81 TSHR (0.50) NPC1MAPTTSHRALDH1A1SLC1A1
SCHEMBL17203007 0.80 MMP8 (0.59) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL9449156 0.80 MAPT (0.47) NPC1MAPTTSHRALDH1A1SLC1A1
SCHEMBL4998437 0.78 LDHA (0.58) MAPTALDH1A1MEN1KMT2ACA1
SCHEMBL21480002 0.78 TDP1 (0.48) NPC1MAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL7391865 0.77 ALDH1A1 (0.58) NPC1MAPTTSHRALDH1A1SLC1A1
SCHEMBL14873821 0.77 ALDH1A1 (0.58) NPC1MAPTTSHRALDH1A1SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2000047560-A2 PROCESS FOR THE PREPARATION OF ASYMMETRICAL 1,4-DIHYDRO-PYRIDINE-DICARBOXYLIC ACID ESTERS EGIS Gyógyszergyár Rt. (HU) 2000-08-17 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 (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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 NPC1 3359/4885MAPT 3875/4885TSHR 986/4885

“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.