SCHEMBL1836409

SCHEMBL1836409

Pc1cccc(-c2cccc3c2OCCC3)c1-c1cccc2c1OCCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
HTR1A P08908 3/20 0.31
HTR7 P34969 1/20 0.30
CYP2A6 P11509 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL1835162 0.95 PARP1 (0.34) PARP1
SCHEMBL1840365 0.90 PARP1 (0.44) PARP1HTR7
SCHEMBL8256849 0.76 PARP1 (0.34) PARP1CDK2CDK9HTR1AHTR7
SCHEMBL27980979 0.75 HTR7 (0.43) PARP1HTR1AHTR7CYP2A6MAOA
SCHEMBL12679738 0.74 PDCD1 (0.36) PARP1CDK2CDK9HTR1ACYP2A6
SCHEMBL6293516 0.73 PARP1 (0.37) PARP1CDK2CDK9CYP2A6MAOA
SCHEMBL8258997 0.73 HTR1A (0.38) PARP1CDK2CDK9HTR1AHTR7
SCHEMBL8248843 0.73 LMNA (0.36) PARP1CDK2CDK9HTR1A
SCHEMBL15074806 0.71 PARP1 (0.52) PARP1HTR1A
SCHEMBL8259002 0.71 DRD2 (0.36) PARP1CDK2CDK9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321244-B1 IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-21 EP disclosed
US-8558030-B2 Process for telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-15 US disclosed
US-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (Formerly known as Dow Global Technologies Inc.) (US) 2011-06-09 US disclosed
EP-2321244-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2011-05-18 EP disclosed
WO-2010019360-A2 AN IMPROVED PROCESS FOR TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES INC. (US) 2010-02-18 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-20110137086-A1 PROCESS FOR TELOMERIZATION OF BUTADIENE HRH3, HRH4, TELO2 PARP1 389/4885CDK2 339/4885CDK9 466/4885

“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.