SCHEMBL13488648

SCHEMBL13488648

CC(=O)Oc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccc(O)cc3)(c3ccc(N5CCC(C)CC5)cc3)O4)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 4/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GFER P55789 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HSD17B10 Q99714 1/20 0.30
NPY1R P25929 1/20 0.30
POLB P06746 2/20 0.30
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MCL1 Q07820 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL13488647 0.92 USP2 (0.34) NPSR1TP53GAAUSP2ALDH1A1
SCHEMBL13239925 0.91 NPY1R (0.35) NPSR1TP53USP2ALDH1A1KDM4E
SCHEMBL3039044 0.85 HRH3 (0.37) MAPT
SCHEMBL3207189 0.82 HRH3 (0.38) ALDH1A1MAPTKMT2APOLBMAPK1
SCHEMBL3213924 0.82 HRH3 (0.38) MAPTPOLBNPC1
SCHEMBL13240239 0.80 KIF11 (0.36) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL3210078 0.76 HRH3 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL13488493 0.75 DHODH (0.32) USP2ALDH1A1KMT2AHSD17B10
SCHEMBL13488494 0.75 DHODH (0.32) USP2ALDH1A1KMT2AHSD17B10
SCHEMBL3039685 0.74 ACHE (0.40) NPSR1TP53GAAALDH1A1KDM4E

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-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2010-02-18 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-20100039688-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, CBR1, NR0B2 NPSR1 199/4885TP53 1206/4885GAA 4788/4885

“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.