SCHEMBL6406550

SCHEMBL6406550

C1=C(C2CC2)c2ccccc2C1CC1C=C(C2CC2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.33
HTR2A P28223 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
CDC25B P30305 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HTR6 P50406 2/20 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
SCHEMBL6406800 0.93 PTPN1 (0.41) PTPN1HTR2ACHRM2CHRM4CHRM5
SCHEMBL6403734 0.91 PTPN1 (0.42) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6401023 0.91 PTPN1 (0.42) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6406592 0.74 MEN1 (0.35) CYP1A2CYP2D6
SCHEMBL6406806 0.70 CHRM2 (0.31) PTPN1CHRM2CHRM4CHRM5CHRM1
SCHEMBL6401846 0.69 PTPN1 (0.40) PTPN1HTR2ACHRM2CHRM1CHRM3
SCHEMBL6401889 0.69
Hydrochloric Acid SCHEMBL6408809 0.69 PTPN1 (0.30) PTPN1
SCHEMBL6400706 0.68 PTPN1 (0.33) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6408816 0.68

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 PTPN1 2634/4885HTR2A 4160/4885CHRM2 2954/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 PTPN1 2663/4885HTR2A 3843/4885CHRM2 3347/4885

“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.