SCHEMBL449518

SCHEMBL449518

Cc1cc(C)c(C2C(=O)C3C4CC[C@H](C4)C3C2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL449604 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1MCOLN3KCNQ3
SCHEMBL515422 0.86 PTPN1 (0.35) SMN1; SMN2KMT2AMEN1MCOLN3ALDH1A1
SCHEMBL515828 0.79 PTPN1 (0.36) KMT2AMEN1ALDH1A1THRBHPGD
SCHEMBL15839585 0.78 SLC6A3 (0.31) KMT2AMEN1KCNQ3KCNQ2KCNQ4
SCHEMBL2122883 0.77 L3MBTL1 (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL447364 0.74 NOS3 (0.31)
SCHEMBL449517 0.73 LMNA (0.37) SMN1; SMN2ALDH1A1LMNAKDM4EGAA
SCHEMBL2121260 0.71 TDP1 (0.32) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL449804 0.70 F2 (0.31)
SCHEMBL449805 0.70 F2 (0.31)

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-8846619-B2 Artificial oxygen transport protein THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-09-30 US disclosed
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065133-A1 Artificial Oxygen Transport Protein THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2012-03-15 US disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010102133-A1 ARTIFICIAL OXYGEN TRANSPORT PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-09-10 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 (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-20120065133-A1 Artificial Oxygen Transport Protein SLC25A21, HSPD1, COX15 SMN1; SMN2 2958/4885KMT2A 4078/4885MEN1 3973/4885
US-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SMN1; SMN2 2952/4885KMT2A 674/4885MEN1 4280/4885

“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.