SCHEMBL4034060

SCHEMBL4034060

COc1cc(CCNCc2ccc(C(C)(C)C)cc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
GAA P10253 1/20 0.50
BCHE P06276 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.48
EPHX2 P34913 1/20 0.48
RAB9A P51151 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.48
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HTR2A P28223 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL4152967 0.88 GAA (0.64) CA1CA2GAABCHEMEN1
SCHEMBL5177357 0.87 BCHE (0.65) CA1CA2GAABCHEMEN1
SCHEMBL20902780 0.82 CA1 (0.71) CA1CA2GAAKMT2ANPC1
SCHEMBL11092418 0.81 BCHE (0.64) GAABCHEMEN1KMT2ANPC1
SCHEMBL3945922 0.81 KDM4E (0.68) CA1CA2MEN1KMT2AATM
SCHEMBL12521113 0.79 CA1 (0.56) CA1CA2MEN1KMT2AL3MBTL1
SCHEMBL5177574 0.79 CA1 (0.56) CA1CA2EPHX2L3MBTL1CA12
SCHEMBL5175955 0.77 BCHE (0.53) CA1CA2GAABCHEMEN1
SCHEMBL25381118 0.77 CA1 (0.58) CA1CA2GAAMEN1KMT2A
SCHEMBL3585668 0.77 CA1 (0.53) CA1CA2GAABCHEMEN1

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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP CA1 4644/4885CA2 4559/4885GAA 389/4885

“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.