SCHEMBL4454435

SCHEMBL4454435

COc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
S1PR1 P21453 1/20 0.35
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ABCB1 P08183 1/20 0.33
TOP1 P11387 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL4444992 0.89 SMN1; SMN2 (0.38) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL3023273 0.89 HPGD (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL29841836 0.89 HPGD (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL28353796 0.88 HPGD (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL20304 0.85 HTR7 (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL28439942 0.85 HTR7 (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL30217868 0.85 ABCB1 (0.40) SMN1; SMN2LMNAMEN1KMT2AABCB1
SCHEMBL5897015 0.85 ABCB1 (0.40) SMN1; SMN2LMNAMEN1KMT2AABCB1
SCHEMBL27906021 0.85 HPGD (0.38) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL5502813 0.84 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105505-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2009-04-23 US disclosed
EP-1778704-B1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2008-11-26 EP disclosed
EP-1778704-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-05-02 EP disclosed
EP-1761549-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-03-14 EP disclosed
WO-2006002730-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 WO disclosed
WO-2006002731-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 WO 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-20090105505-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES C1S, KMO, C1R SMN1; SMN2 4476/4885HPGD 4530/4885RAB9A 1212/4885

“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.