SCHEMBL13240239

SCHEMBL13240239

Oc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccccc3)(c3ccc(N5CCCC5)cc3)O4)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALK Q9UM73 1/20 0.33
AR P10275 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MCL1 Q07820 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL13488507 0.90 MAPT (0.35) KIF11MAPTKDM4EALDH1A1TDP1
SCHEMBL3039685 0.89 ACHE (0.40) KIF11MAPTKDM4EALDH1A1TDP1
SCHEMBL13699530 0.89 ALDH1A1 (0.36) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL13239925 0.88 NPY1R (0.35) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL13219268 0.87 GPR84 (0.37) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL3027348 0.84 HRH3 (0.36) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL3037414 0.84 TP53 (0.37) MAPK1ALK
SCHEMBL13488505 0.83 GPR84 (0.35) MAPTKDM4EALDH1A1TDP1HPGD
SCHEMBL3031793 0.83 HRH3 (0.38) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL13694878 0.83 S1PR1 (0.36) MAPTKDM4EALDH1A1TDP1L3MBTL1

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-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D' OPTIQUE) (FR) 2010-08-12 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-20100202033-A1 3H-NAPHTH0 [2,1-B] PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM NR0B1, NR0B2, NR4A1 KIF11 2397/4885MAPT 4224/4885KDM4E 4455/4885

“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.