SCHEMBL6423409

SCHEMBL6423409

Fc1cc(F)c(C(P)(c2cc(F)c(F)cc2F)c2ccc3ccccc3c2-c2c(C(P)(c3cc(F)c(F)cc3F)c3cc(F)c(F)cc3F)ccc3ccccc23)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.40
CES1 P23141 2/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DPP4 P27487 2/20 0.35
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 2/20 0.34
CYP1B1 Q16678 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL8020528 0.86 CYP2A6 (0.40) HPRT1CES1CYP11B1CYP11B2HSD17B10
SCHEMBL8022924 0.83 HPRT1 (0.38) HPRT1CES1HSD17B10ALDH1A1CYP2A6
SCHEMBL6418428 0.81 HPRT1 (0.40) HPRT1CES1CYP11B1CYP11B2HSD17B10
SCHEMBL8023349 0.79 HPRT1 (0.35) HPRT1CES1HSD17B10ALDH1A1CYP2A6
SCHEMBL6420827 0.77 CYP1A2 (0.37) HPRT1CES1HSD17B10ALDH1A1CYP2A6
SCHEMBL8011621 0.77 HSD11B1 (0.42) HPRT1CYP11B1CYP11B2HSD17B10ALDH1A1
SCHEMBL6424095 0.77 HSD17B10 (0.37) HPRT1CES1HSD17B10ALDH1A1CYP2A6
SCHEMBL8022205 0.75 KCNJ11 (0.41) HPRT1CES1HSD17B10ALDH1A1CYP2A6
SCHEMBL8010776 0.75 KCNJ11 (0.39) HPRT1CES1HSD17B10ALDH1A1CYP2A6
SCHEMBL6419265 0.74 P2RX1 (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1

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 HPRT1 40/4885CES1 2619/4885CYP11B1 730/4885
US-20050038272-A1 Process for preparing diphosphines HRH2, HRH3, HRH4 HPRT1 152/4885CES1 4724/4885CYP11B1 332/4885

“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.