SCHEMBL3786342

SCHEMBL3786342

CCCCCCCCN(CCCCCCCC)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.54
ALOX5 P09917 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RARB P10826 8/20 0.53
PLA2G4B P0C869 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RARA P10276 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
KMT2A Q03164 1/20 0.53
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
CNR2 P34972 1/20 0.50

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
SCHEMBL1134696 1.00 PTGES (0.54) PTGESALOX5TP53TSHRRARB
SCHEMBL472312 1.00 PTGES (0.54) PTGESALOX5TP53TSHRRARB
SCHEMBL11539577 1.00 PTGES (0.54) PTGESALOX5TP53TSHRRARB
SCHEMBL472292 0.98 EGFR (0.53) PTGESALOX5TP53TSHRRARB
SCHEMBL472266 0.93 EGFR (0.58) ALOX5TP53TSHRRARBPLA2G4B
SCHEMBL11373304 0.91 EGFR (0.56) PTGESALOX5TP53TSHRRARB
SCHEMBL2369922 0.88 EGFR (0.53) PTGESALOX5EGFRERBB2CNR2
SCHEMBL1963626 0.88 EGFR (0.53) PTGESALOX5ALDH1A1MAPTEGFR
SCHEMBL29138331 0.88 EGFR (0.53) PTGESALOX5ALDH1A1MAPTEGFR
SCHEMBL29138333 0.88 EGFR (0.53) PTGESALOX5ALDH1A1MAPTEGFR

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-20100322881-A1 UVB FILTER BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-12-23 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-20100322881-A1 UVB FILTER BASED ON ASCORBIC ACID DERIVATIVES C1R, VDR, CYP2R1 PTGES 4221/4885ALOX5 1503/4885TP53 502/4885

“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.