SCHEMBL5004306

SCHEMBL5004306

C1=C(Cc2cccc3ccccc23)c2ccccc2C1Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
ADRA2B P18089 4/20 0.39
ADRA2C P18825 4/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 2/20 0.36
ADRA1A P35348 3/20 0.36
MAPK1 P28482 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 1/20 0.36
OPRM1 P35372 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5003994 0.90 MAPT (0.41) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL5004387 0.82 HTR6 (0.38) MEN1ALDH1A1KMT2AHTR6LMNA
SCHEMBL2353720 0.79 HTR6 (0.50) MEN1ALDH1A1KMT2AHTR6CYP2D6
Hydrochloric Acid SCHEMBL5000189 0.76 MAPT (0.39) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL28911912 0.75 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL5004055 0.75 HTR6 (0.38) MEN1ALDH1A1KMT2AHTR6TAAR1
SCHEMBL2354448 0.74 HTR6 (0.57) MEN1ALDH1A1KMT2AHTR6CYP2D6
Hydrochloric Acid SCHEMBL28965963 0.74 ADRA2A (0.55) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL28790807 0.73 HTR6 (0.52) MEN1ALDH1A1HPGDKMT2AHTR6
SCHEMBL5003769 0.72 PIP4K2C (0.36) ALDH1A1KMT2AHTR6MAPK1LMNA

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 ADRA2A 4537/4885ADRA2B 4641/4885ADRA2C 4461/4885

“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.