SCHEMBL4444992

SCHEMBL4444992

COc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TOP1 P11387 1/20 0.36
AGER Q15109 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
ABCB1 P08183 1/20 0.36
HTR7 P34969 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL20304 0.96 HTR7 (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL28439942 0.96 HTR7 (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL30068977 0.94 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL5502813 0.94 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL30181989 0.94 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
Hydrochloric Acid SCHEMBL29391428 0.94 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL29841836 0.94 HPGD (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL4216711 0.94 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL26657101 0.94 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL3023273 0.94 HPGD (0.40) 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 7 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-1761548-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-03-14 EP disclosed
WO-2006002729-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
EP-1609795-A1 Process for the preparation of asymmetrically substituted biaryldiphosphines Lonza AG (CH) 2005-12-28 EP 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.