SCHEMBL668454

SCHEMBL668454

COc1ccc(P(c2ccc(OC)cc2)c2cc(C(C)(C)C)cc3c2Oc2ccc(C(C)(C)C)cc2C3(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
DRD1 P21728 1/20 0.35
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL667936 0.87 DRD1 (0.37) ALDH1A1DRD1MAPT
SCHEMBL21111795 0.86 DRD1 (0.51) ALDH1A1HPGDDRD1MAPT
SCHEMBL29501639 0.86 DRD1 (0.51) ALDH1A1HPGDDRD1MAPT
SCHEMBL667233 0.86 DRD1 (0.36) DRD1LMNA
SCHEMBL15685860 0.86 DRD1 (0.50) DRD1
SCHEMBL21111890 0.78 DRD1 (0.50) DRD1
SCHEMBL31758911 0.78 DRD1 (0.49) ALDH1A1HPGDDRD1MAPTMAPK1
SCHEMBL666909 0.77 DRD1 (0.65) DRD1
SCHEMBL667232 0.76 DRD1 (0.31) DRD1
SCHEMBL708320 0.75 DRD1 (0.61) DRD1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912346-B2 Palladium phosphine complexes for the telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2014-12-16 US claimed
EP-2431375-B1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-01 EP claimed
EP-2431375-A2 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2012-03-21 EP claimed
US-20120046475-A1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELEOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-23 US claimed
US-8912346-B2 Palladium phosphine complexes for the telomerization of butadiene DOW GLOBAL TECHNOLOGIES LLC (US) 2014-12-16 US disclosed
EP-2431375-B1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2013-05-01 EP disclosed
EP-2431375-A2 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELOMERIZATION OF BUTADIENE Dow Global Technologies LLC (US) 2012-03-21 EP disclosed
US-20120046475-A1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELEOMERIZATION OF BUTADIENE DOW GLOBAL TECHNOLOGIES LLC (US) 2012-02-23 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 (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-20120046475-A1 PALLADIUM PHOSPHINE COMPLEXES FOR THE TELEOMERIZATION OF BUTADIENE TTI1, TTI2, PAXBP1 ALDH1A1 4663/4885HPGD 1595/4885DRD1 258/4885

“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.