SCHEMBL1837899

SCHEMBL1837899

CCCCOc1ccccc1P(c1ccccc1)c1ccccc1OCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
LTA4H P09960 2/20 0.44
CYP19A1 P11511 1/20 0.41
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL10456909 0.97 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19LTA4HCYP19A1
SCHEMBL1835622 0.91 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TP53HIF1A
SCHEMBL1837833 0.89 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LTA4HCYP19A1
Bromide SCHEMBL30432008 0.86 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19TP53HIF1A
SCHEMBL1833246 0.84 ALDH1A1 (0.47) CYP1A2CYP2C19LTA4HLMNACYP3A4
SCHEMBL280058 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19LTA4HCYP19A1
SCHEMBL6291581 0.82 LMNA (0.53) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
SCHEMBL30707397 0.80 ALDH1A1 (0.47) CYP1A2CYP2C19LTA4HLMNACYP3A4
SCHEMBL9181053 0.80 ALDH1A1 (0.47) CYP1A2CYP2C19LTA4HLMNACYP3A4
SCHEMBL1840409 0.80 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19TP53HIF1A

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 CYP1A2 1556/4885CYP2C9 2101/4885CYP2C19 1542/4885

“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.