SCHEMBL5509956

SCHEMBL5509956

FC(F)(F)c1ccc(P(Cc2ccc3ccccc3c2-c2c(CP(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)ccc3ccccc23)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
KCNJ11 Q14654 1/20 0.35
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 1/20 0.33
AR P10275 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
HTR6 P50406 1/20 0.32
APP P05067 1/20 0.32
ESR1 P03372 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL6419267 0.87 P2RX1 (0.40) KIF11ALDH1A1MAPTP2RX1P2RX3
SCHEMBL8022208 0.83 CES1 (0.37) ALDH1A1TSHRMAPTL3MBTL1CYP2A6
SCHEMBL29447338 0.82 ALDH1A1 (0.39) ALDH1A1TSHRMAPTCYP2A6HSD17B10
SCHEMBL3955072 0.82 ALDH1A1 (0.39) ALDH1A1TSHRMAPTCYP2A6HSD17B10
SCHEMBL17444726 0.81 P2RX1 (0.37) CYP2C19SLC6A4P2RX1P2RX3P2RX4
SCHEMBL29695262 0.81 ALDH1A1 (0.38) ALDH1A1TSHRMAPTCYP2A6HSD17B10
SCHEMBL8056031 0.81 CES1 (0.36) ALDH1A1TSHRMAPTL3MBTL1CYP2A6
SCHEMBL8023619 0.80 MAPT (0.36) ALDH1A1TSHRMAPTL3MBTL1CYP2A6
Potassium SCHEMBL29695394 0.80 WDR5 (0.37) ALDH1A1TSHRMAPTCYP2A6HSD17B10
SCHEMBL9516172 0.79 ALDH1A1 (0.44) KIF11ALDH1A1TSHRMAPTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653432-B1 Process for preparing bis-(diaryl-alkyl)-phosphines and derivatives of this class of substances CELANESE CHEM EUROPE GMBH (DE) 2000-02-09 EP claimed
US-5600006-A Bis(diarylalkyl)phosphines HOECHST A.G. (DE) 1997-02-04 US claimed
EP-0653432-A1 Process for preparing bis-(diaryl-alkyl)-phosphines and novel derivatives of this class of substances HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-17 EP claimed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP disclosed
US-20050215825-A1 Hydroaminomethylation of olefins UNION CARBIDE CORPORATION 2005-09-29 US disclosed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO disclosed
EP-0653432-B1 Process for preparing bis-(diaryl-alkyl)-phosphines and derivatives of this class of substances CELANESE CHEM EUROPE GMBH (DE) 2000-02-09 EP disclosed
US-5600006-A Bis(diarylalkyl)phosphines HOECHST A.G. (DE) 1997-02-04 US disclosed
EP-0653432-A1 Process for preparing bis-(diaryl-alkyl)-phosphines and novel derivatives of this class of substances HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-17 EP 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-20050215825-A1 Hydroaminomethylation of olefins HRH2, HRH4, HRH1 CNR2 659/4885KCNJ11 1181/4885POLB 4584/4885

“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.