SCHEMBL14596146

SCHEMBL14596146

Brc1cccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c(Br)cccc34)c(P(c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PRNP P04156 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ DRD1 P21728 2/20 0.33
▸ PNMT P11086 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ GRM5 P41594 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL14687530 0.83 TDP1 (0.41) CYP3A4TDP1PRNPMEN1KMT2A
SCHEMBL3425344 0.80 CYP3A4 (0.38) CYP3A4TDP1DRD1ESR1ESR2
SCHEMBL3940105 0.80 ALDH1A1 (0.46) CYP3A4TDP1MEN1KMT2APARP1
SCHEMBL14627617 0.77 PRNP (0.33) PRNPMEN1KMT2A
SCHEMBL5425957 0.76 LOXL2 (0.35) CYP3A4TDP1DRD1PNMT
SCHEMBL14596133 0.76 CA1 (0.38) CYP3A4TDP1MEN1KMT2ADRD1
SCHEMBL5107 0.75 ALDH1A1 (0.44) CYP3A4TDP1ESR1ESR2
SCHEMBL146878 0.75 ALDH1A1 (0.44) CYP3A4TDP1ESR1ESR2
SCHEMBL7491891 0.75 CYP3A4 (0.50) CYP3A4TDP1PRNPMEN1KMT2A
SCHEMBL29496111 0.75 ALDH1A1 (0.44) CYP3A4TDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 — — 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 (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-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS CYP3A4 1000/4885TDP1 655/4885PRNP 2672/4885

“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.

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