SCHEMBL668583

SCHEMBL668583

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(Br)c1O2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP19A1 P11511 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
SCHEMBL669017 0.80 ALDH1A1 (0.38) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL30177009 0.80 ALDH1A1 (0.38) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL20516731 0.79 DRD1 (0.42) DRD1ALDH1A1
SCHEMBL666909 0.77 DRD1 (0.65) DRD1CYP19A1
SCHEMBL15849058 0.77 ALDH1A1 (0.34) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL16146962 0.77 DRD1 (0.49) DRD1ALDH1A1
SCHEMBL30153513 0.77 DRD1 (0.49) DRD1ALDH1A1
SCHEMBL24272577 0.73 DRD1 (0.33) DRD1CYP19A1
SCHEMBL18488895 0.72 DRD1 (0.36) DRD1
SCHEMBL27814761 0.72

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-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 DRD1 258/4885NPC1 4329/4885RAB9A 1944/4885

“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.