SCHEMBL4093230

SCHEMBL4093230

CCCCc1ccc(-c2cc(C(=O)O)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
PTPN1 P18031 3/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
RECQL P46063 1/20 0.57
RARB P10826 2/20 0.55
FAAH O00519 1/20 0.53
LMNA P02545 2/20 0.52
HIF1A Q16665 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL4083150 0.85 ALDH1A1 (0.66) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL12243251 0.83 RARB (0.63) ALDH1A1MAPTRARBKMT2AMEN1
SCHEMBL2352909 0.83 RARB (0.63) ALDH1A1MAPTRARBKMT2AMEN1
SCHEMBL2355261 0.79 RARB (0.64) ALDH1A1MAPTRARBKMT2AMEN1
SCHEMBL11902223 0.79 ALDH1A1 (0.66) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL7333239 0.79 SMPD1 (0.70) ALDH1A1PTPN1MAPTHPGDRECQL
SCHEMBL12243263 0.78 RARB (0.65) ALDH1A1MAPTRARBKMT2AMEN1
SCHEMBL2350629 0.78 RARB (0.65) ALDH1A1MAPTRARBKMT2AMEN1
SCHEMBL12243224 0.78 RARB (0.49) ALDH1A1MAPTRARBKMT2AMEN1
SCHEMBL12243230 0.78 RARB (0.49) ALDH1A1MAPTRARBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885PTPN1 2039/4885MAPT 3755/4885

“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.