SCHEMBL6406800

SCHEMBL6406800

C1=C(C2CCCC2)c2ccccc2C1CC1C=C(C2CCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
PTPRC P08575 1/20 0.40
PTPRF P10586 1/20 0.40
CDC25B P30305 1/20 0.40
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PTGS2 P35354 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
PARP1 P09874 1/20 0.33
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
HTR2A P28223 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL6401023 0.98 PTPN1 (0.42) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6403734 0.98 PTPN1 (0.42) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6406550 0.93 PTPN1 (0.33) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL7640369 0.74 PTPN1 (0.40) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6403293 0.72 PTPN1 (0.39) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6406592 0.71 MEN1 (0.35) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6403384 0.71 PTPN1 (0.38) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6400787 0.71 BCHE (0.37) BCHEACHEPARP1CYP2D6
SCHEMBL6401822 0.71 PTPN1 (0.41) PTPN1PTPRCPTPRFCDC25BBCHE
SCHEMBL6402365 0.71 PTPN1 (0.41) PTPN1PTPRCPTPRFCDC25BBCHE

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 2634/4885PTPRC 1196/4885PTPRF 1938/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 PTPN1 2663/4885PTPRC 733/4885PTPRF 1665/4885

“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.