SCHEMBL669273

SCHEMBL669273

FC(F)(F)c1ccc(P(Cl)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KIF11 P52732 6/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
MGLL Q99685 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
AHR P35869 1/20 0.35
EPHX2 P34913 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
PLAU P00749 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL669274 0.80 ALDH1A1 (0.43) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL2201199 0.80 ALDH1A1 (0.43) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL17448527 0.78 ALDH1A1 (0.42) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL15661104 0.74 ALDH1A1 (0.48) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL287478 0.74 ALDH1A1 (0.48) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL19514107 0.73 ALDH1A1 (0.42) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL63468 0.72 ALDH1A1 (0.67) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL5713308 0.72 ALDH1A1 (0.46) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL31325622 0.72 ALDH1A1 (0.46) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL21724857 0.71 ALDH1A1 (0.40) ALDH1A1TSHRKIF11CES2CES1

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 ALDH1A1 4663/4885TSHR 1372/4885KIF11 2432/4885

“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.