SCHEMBL2582503

SCHEMBL2582503

CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3sc(-c4c(O)c(=O)c4=O)c4c3OCCO4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.38
NR5A1 Q13285 1/20 0.38
ALDH2 P05091 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PLA2G4B P0C869 5/20 0.35
PLA2G4A P47712 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL17713607 0.88 NR5A1 (0.42) RARBNR5A1TP53TSHRPLA2G4B
SCHEMBL17713611 0.84 CYP2D6 (0.41) TSHR
SCHEMBL17725550 0.81 ALDH1A1 (0.39) TP53TSHR
SCHEMBL16978408 0.76 RARB (0.33) RARBNR5A1TP53LTA4H
SCHEMBL16982627 0.75 ESR1 (0.34) RARBTHRATHRBLTA4H
SCHEMBL17713610 0.75 NQO1 (0.40) TP53TSHR
SCHEMBL16485624 0.75 PTGES (0.43) RARBTP53TSHRPLA2G4B
SCHEMBL14646282 0.74 NR5A1 (0.48) RARBNR5A1ALDH2LTA4H
SCHEMBL12160874 0.74 KDM4E (0.41) RARBNR5A1TP53TSHRLTA4H
SCHEMBL16978409 0.74 KDM4E (0.41) RARBNR5A1TP53TSHRLTA4H

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-8404842-B2 Organic and inorganic photosensitizer dyes NATIONAL CENTRAL UNIVERSITY (TW) 2013-03-26 US disclosed
US-8404842-B2 Organic and inorganic photosensitizer dyes NATIONAL CENTRAL UNIVERSITY (TW) 2013-03-26 US disclosed
US-20110288300-A1 Organic and inorganic photosensitizer dyes NAIONAL CENTRAL UNIVERSITY (TW) 2011-11-24 US disclosed
US-20110288300-A1 Organic and inorganic photosensitizer dyes NAIONAL CENTRAL UNIVERSITY (TW) 2011-11-24 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-20110288300-A1 Organic and inorganic photosensitizer dyes IK, TYR, CRY1 RARB 654/4885NR5A1 4625/4885ALDH2 172/4885

“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.