SCHEMBL1835217

SCHEMBL1835217

c1cc2c(c(P(c3cccc4c3OCCCC4)c3cccc4c3OCCCC4)c1)OCCCC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
TSHR P16473 1/20 0.38
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
HTR1A P08908 3/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL1835087 0.94 PARP1 (0.40) PARP1TSHRBCL2L1BADHTR1A
SCHEMBL16361841 0.89 DRD1 (0.42) PARP1TSHR
SCHEMBL1835160 0.89 DRD1 (0.39) PARP1TSHR
SCHEMBL1833547 0.86 PARP1 (0.50) PARP1HTR1A
SCHEMBL17868301 0.85 CTNNB1 (0.34)
SCHEMBL1836407 0.83 DRD1 (0.40) PARP1TSHRHTR1A
SCHEMBL16361843 0.83 DRD1 (0.43) PARP1TSHRHTR1A
SCHEMBL16323362 0.80 CTNNB1 (0.37) CA1CA9
SCHEMBL16361854 0.80 CTNNB1 (0.37) CA1CA9
SCHEMBL17875571 0.79 PARP1 (0.44) PARP1

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 389/4885TSHR 1049/4885BCL2L1 1521/4885

“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.