SCHEMBL5003769

SCHEMBL5003769

FC(F)(F)c1ccccc1CC1C=C(Cc2ccccn2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.36
HTR6 P50406 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.34
P2RX7 Q99572 4/20 0.34
IDO1 P14902 1/20 0.32
EPHX2 P34913 1/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5009043 0.91 PIP4K2C (0.36) PIP4K2CHTR6ALDH1A1KDM4EKMT2A
SCHEMBL5004055 0.84 HTR6 (0.38) HTR6ALDH1A1KMT2ALMNA
SCHEMBL5003994 0.80 MAPT (0.41) HTR6ALDH1A1KDM4EKMT2ACA12
SCHEMBL2354448 0.78 HTR6 (0.57) HTR6ALDH1A1KDM4EKMT2ALMNA
SCHEMBL5004387 0.77 HTR6 (0.38) HTR6ALDH1A1KMT2ALMNA
SCHEMBL2130108 0.76 IDO1 (0.44) PIP4K2CALDH1A1KDM4EKMT2ALMNA
SCHEMBL2353720 0.73 HTR6 (0.50) HTR6ALDH1A1KDM4EKMT2ALMNA
SCHEMBL5004306 0.72 ADRA2A (0.39) HTR6ALDH1A1KDM4EKMT2ALMNA
Hydrochloric Acid SCHEMBL5003114 0.72 PIP4K2C (0.35) PIP4K2CALDH1A1KDM4EKMT2ALMNA
SCHEMBL27943263 0.71 HTR6 (0.60) HTR6ALDH1A1LMNACYP1A2CYP3A4

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 PIP4K2C 2418/4885HTR6 3492/4885ALDH1A1 2394/4885

“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.