SCHEMBL6402578

SCHEMBL6402578

CC(C1=CC(CC2C=C(C(C)c3ccccc3)c3ccccc32)c2ccccc21)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HTR6 P50406 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRA1A P35348 2/20 0.31
CACNA1F O60840 1/20 0.31
ADRA2B P18089 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL6401931 0.83 MEN1 (0.35) MEN1KMT2APOLBATMHTR6
SCHEMBL6401846 0.82 PTPN1 (0.40) MEN1KMT2APOLBATMHTR6
SCHEMBL6401725 0.79 TSHR (0.36) MEN1KMT2APOLBATMHTR6
SCHEMBL6407221 0.77 BCHE (0.33) MEN1KMT2APOLBATMHTR6
SCHEMBL6400735 0.75 MEN1 (0.39) MEN1KMT2APOLBATMCHRM1
Hydrochloric Acid SCHEMBL6402933 0.73 MEN1 (0.37) MEN1KMT2APOLBATM
SCHEMBL6402934 0.72 MEN1 (0.36) MEN1KMT2APOLBATM
SCHEMBL6401889 0.71
SCHEMBL27546226 0.71 HTR6 (0.37) MEN1KMT2APOLBATMHTR6
Hydrochloric Acid SCHEMBL6402378 0.71 MEN1 (0.36) MEN1KMT2APOLBATMADRA2A

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
US-6844288-B2 Process for the preparation of ligands for metallogene catalysts BASELL POLYOLEFINE GMBH (DE) 2005-01-18 US disclosed
US-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand EQUISTAR CHEMICALS, LP 2003-08-21 US disclosed
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts RESCONI LUIGI (IT) 2002-11-14 US disclosed
US-6423796-B1 COORDINATION CATALYST BASEL TECHNOLOGY COMPANY BV (NL) 2002-07-23 US 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 (2 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-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand MACF1, SDC1, SDC2 MEN1 3563/4885KMT2A 3829/4885POLB 614/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 MEN1 2357/4885KMT2A 3704/4885POLB 346/4885

“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.