SCHEMBL4153367

SCHEMBL4153367

Fc1ccc(CCNCc2ccc3ccccc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA4 P22748 2/20 0.63
LTA4H P09960 1/20 0.61
EPHX2 P34913 1/20 0.61
MC5R P33032 5/20 0.61
MC4R P32245 3/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MC3R P41968 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
MC1R Q01726 2/20 0.53
MPO P05164 1/20 0.51
TRPV6 Q9H1D0 1/20 0.51

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
SCHEMBL27502280 0.86 MC5R (0.59) LTA4HEPHX2MC5RMC4RCYP1A2
Hydrochloric Acid SCHEMBL6417210 0.85 MC5R (0.57) MC5RMC4RCYP1A2ALDH1A1MC3R
SCHEMBL22495340 0.81 GAA (0.63) CA12CA1CA2CA4LTA4H
SCHEMBL10399489 0.81 KDM4E (0.84) CA12CA1CA2CA4LTA4H
SCHEMBL27688886 0.81 KDM4E (0.84) CA12CA1CA2CA4LTA4H
SCHEMBL28746131 0.81 CYP1A2 (0.58) MC4RCYP1A2
SCHEMBL30436899 0.79 CYP1A2 (0.55) LTA4HEPHX2CYP1A2CYP2D6CYP2C19
SCHEMBL6008141 0.78 MC5R (0.71) CA12CA1CA2CA4MC5R
SCHEMBL5947593 0.78 LTA4H (0.79) LTA4HEPHX2CYP1A2CYP2D6CYP2C19
SCHEMBL8810102 0.76 LTA4H (0.94) CA12CA1CA2CA4LTA4H

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 2 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

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 CA12 4280/4885CA1 4644/4885CA2 4559/4885

“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.