SCHEMBL6420832

SCHEMBL6420832

Fc1cc(F)cc(P(Cc2ccc3ccccc3c2-c2c(CP(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)ccc3ccccc23)c2cc(F)cc(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPRT1 P00492 3/20 0.35
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CES1 P23141 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
NQO2 P16083 2/20 0.32
MAPT P10636 1/20 0.32
AHR P35869 1/20 0.31
NQO1 P15559 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
SCHEMBL8010779 0.88 CYP1A2 (0.36) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL6418430 0.86 HPRT1 (0.38) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL8022208 0.86 CES1 (0.37) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL8056031 0.83 CES1 (0.36) CYP2A6CYP1A2HPRT1ALDH1A1HSD17B10
SCHEMBL6419128 0.83 CYP2A6 (0.38) CYP2A6CYP1A2ALDH1A1HSD17B10TDP1
SCHEMBL29447338 0.82 ALDH1A1 (0.39) CYP2A6HPRT1ALDH1A1HSD17B10TDP1
SCHEMBL3955072 0.82 ALDH1A1 (0.39) CYP2A6HPRT1ALDH1A1HSD17B10TDP1
SCHEMBL8029934 0.81 CYP1A2 (0.34) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL6419267 0.81 P2RX1 (0.40) CYP1A2ALDH1A1TDP1CYP1B1MAPT
SCHEMBL29695262 0.80 ALDH1A1 (0.38) CYP2A6HPRT1ALDH1A1HSD17B10TDP1

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
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-6956133-B2 Process for hydroformylating an olefin OXENO OLEFINCHEMIE GMBH (DE) 2005-10-18 US disclosed
US-6924389-B2 Method for producing diphosphines and the use thereof OXENO OLEFINCHEMIE GMBH (DE) 2005-08-02 US disclosed
US-20050038272-A1 Process for preparing diphosphines OXENO OLEFINCHEMIE GMBH (DE) 2005-02-17 US disclosed
US-20040110979-A1 Process for preparing diphosphines EVONIK DEGUSSA GMBH (DE) 2004-06-10 US disclosed
US-5600006-A Bis(diarylalkyl)phosphines HOECHST A.G. (DE) 1997-02-04 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 (2 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-20040110979-A1 Process for preparing diphosphines CYTH2, DOHH, HRH2 CYP2A6 258/4885CYP1A2 135/4885HPRT1 40/4885
US-20050038272-A1 Process for preparing diphosphines HRH2, HRH3, HRH4 CYP2A6 146/4885CYP1A2 34/4885HPRT1 152/4885

“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.