SCHEMBL5465323

SCHEMBL5465323

OCC12CCCC1CN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
FUCA1 P04066 2/20 0.42
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 1/20 0.40
OPRL1 P41146 1/20 0.39

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
SCHEMBL5654095 1.00 ALDH1A1 (0.44) ALDH1A1FUCA1CYP2D6CYP1A2CYP3A4
SCHEMBL19779412 0.96 ALDH1A1 (0.43) ALDH1A1FUCA1CYP2D6CYP1A2CYP3A4
SCHEMBL21480155 0.96 ALDH1A1 (0.43) ALDH1A1FUCA1CYP2D6CYP1A2CYP3A4
SCHEMBL21480154 0.96 ALDH1A1 (0.43) ALDH1A1FUCA1CYP2D6CYP1A2CYP3A4
SCHEMBL8388967 0.92 FUCA1 (0.44) ALDH1A1FUCA1POLBGBA1OPRL1
SCHEMBL7386938 0.83 SLC6A2 (0.49) ALDH1A1FUCA1CYP2D6CYP1A2CYP3A4
SCHEMBL7386941 0.83 SLC6A2 (0.49) ALDH1A1FUCA1CYP2D6CYP1A2CYP3A4
SCHEMBL4482745 0.82 FUCA1 (0.46) ALDH1A1FUCA1MEN1TSHRKMT2A
SCHEMBL31325224 0.82 FUCA1 (0.46) ALDH1A1FUCA1MEN1TSHRKMT2A
SCHEMBL7694829 0.79 HTR2A (0.46) CYP2D6CYP1A2CYP3A4MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270417-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-22 US disclosed
US-20070270417-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-22 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL ALDH1A1 637/4885FUCA1 509/4885CYP2D6 134/4885
US-20070270417-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 ALDH1A1 2750/4885FUCA1 2663/4885CYP2D6 767/4885

“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.