SCHEMBL5509954

SCHEMBL5509954

FC(F)(F)c1ccc(C(P)(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2-c2c(C(P)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)ccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 3/20 0.44
CNR2 P34972 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
KIF11 P52732 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SLC6A4 P31645 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL6419265 0.89 P2RX1 (0.41) KCNJ11CNR2MAPTALDH1A1HSD17B10
SCHEMBL8022205 0.87 KCNJ11 (0.41) KCNJ11MAPTALDH1A1HSD17B10HPGD
SCHEMBL3955070 0.86 HSD17B10 (0.47) MAPTALDH1A1HSD17B10HPGDKDM4E
SCHEMBL8023616 0.83 KCNJ11 (0.40) KCNJ11MAPTALDH1A1HSD17B10HPGD
SCHEMBL8011621 0.81 HSD11B1 (0.42) KCNJ11CNR2MAPTALDH1A1HSD17B10
SCHEMBL27300614 0.79 HSD17B10 (0.41) KCNJ11MAPTALDH1A1HSD17B10HPGD
SCHEMBL6418428 0.79 HPRT1 (0.40) KCNJ11MAPTALDH1A1HSD17B10HPGD
SCHEMBL6420827 0.79 CYP1A2 (0.37) KCNJ11MAPTALDH1A1HSD17B10HPGD
SCHEMBL7776439 0.77 CYP1A2 (0.38) CNR2MAPTALDH1A1HSD17B10HPGD
SCHEMBL8010776 0.76 KCNJ11 (0.39) KCNJ11MAPTALDH1A1HSD17B10HPGD

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 KCNJ11 1181/4885CNR2 659/4885MAPT 4108/4885

“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.