SCHEMBL5003514

SCHEMBL5003514

CC(C)(C)C1=CC(Cc2ccccn2)([Cr](Cl)Cl)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SYK P43405 1/20 0.30
CYP46A1 Q9Y6A2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH1 P35367 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30

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
Hydrochloric Acid SCHEMBL5003511 0.79 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ACYP1A2MEN1
SCHEMBL10306737 0.60 PDK2 (0.41) ALDH1A1POLB
SCHEMBL17031761 0.60 HRH3 (0.41) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL21115305 0.58 PDK2 (0.33) HRH3HRH1
SCHEMBL75465 0.57 FDPS (0.52) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL17033077 0.57 HRH3 (0.44) ALDH1A1POLBLMNAHRH3HRH1
SCHEMBL16058869 0.56 FDPS (0.50) ALDH1A1NPC1RAB9ACYP1A2MEN1
SCHEMBL3435909 0.56 SYK (0.47) ALDH1A1NPC1RAB9ALMNAHRH3
SCHEMBL23409219 0.55 ALDH1A1 (0.36) ALDH1A1CYP1A2MEN1KMT2APKM
SCHEMBL22184167 0.55 FDPS (0.49) ALDH1A1NPC1RAB9ACYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
US-20080269445-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2008-10-30 US disclosed
EP-1824888-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2007-08-29 EP disclosed
WO-2006063826-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-06-22 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-20080269445-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN ALDH1A1 2394/4885NPC1 2120/4885RAB9A 4737/4885

“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.