SCHEMBL6424099

SCHEMBL6424099

Fc1c(F)c(F)c(P(Cc2ccc3ccccc3c2-c2c(CP(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)ccc3ccccc23)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES1 P23141 1/20 0.35
HPRT1 P00492 2/20 0.33
MAPT P10636 1/20 0.33
WDR5 P61964 1/20 0.33
DNMT1 P26358 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL6418430 0.80 HPRT1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8022208 0.79 CES1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8022927 0.79 HPRT1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8023352 0.78 HPGD (0.35) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6420832 0.78 CYP2A6 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3955072 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29447338 0.77 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8056031 0.76 CES1 (0.36) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL6423410 0.76 HPRT1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29695262 0.76 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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-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

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 ALDH1A1 651/4885HSD17B10 1878/4885CYP2A6 258/4885
US-20050038272-A1 Process for preparing diphosphines HRH2, HRH3, HRH4 ALDH1A1 1242/4885HSD17B10 1481/4885CYP2A6 146/4885

“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.