SCHEMBL13675283

SCHEMBL13675283

CCc1ccc(-c2ccc(C(=O)CO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
PLK1 P53350 1/20 0.50
HPGD P15428 1/20 0.47
BCL2 P10415 1/20 0.46
RARB P10826 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EGFR P00533 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8122311 0.94 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL13815072 0.86 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL13675346 0.83 BCL2 (0.71) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL6510438 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL8205338 0.82 GSK3B (0.63) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL12285881 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL9420265 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTRXRARXRB
SCHEMBL11135890 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL23512472 0.79 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA
SCHEMBL13814812 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTL3MBTL1RXRA

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 ALDH1A1 1257/4885SMN1; SMN2 3946/4885MAPT 4869/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885SMN1; SMN2 2296/4885MAPT 4619/4885

“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.