SCHEMBL3210078

SCHEMBL3210078

CCCCCCOc1ccc(C2(c3ccccc3N3CCC(C)CC3)C=Cc3c(cc(-c4ccc(-c5ccc(O)cc5)cc4)c4ccccc34)O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.36
MAPT P10636 1/20 0.35
ALDH2 P05091 1/20 0.34
NR5A1 Q13285 1/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
KCNH2 Q12809 1/20 0.33
ESR1 P03372 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HPGD P15428 1/20 0.32
MAOB P27338 2/20 0.32
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3039044 0.91 HRH3 (0.37) HRH3MAPTALDH2NR5A1ESR1
SCHEMBL3040921 0.87 MAPT (0.39) HRH3MAPTDRD2DRD4DRD3
SCHEMBL3207189 0.82 HRH3 (0.38) HRH3MAPTESR1HPGDMAOB
SCHEMBL13219242 0.79 PDK2 (0.33) HRH3KCNH2DRD2DRD4DRD3
SCHEMBL3042124 0.79 HRH3 (0.33) HRH3MAPTHPGD
SCHEMBL13239925 0.79 NPY1R (0.35) MAPTHPGDPTPN1KDM4EALDH1A1
SCHEMBL3036691 0.78 THRA (0.37) HRH3KCNH2DRD2DRD4DRD3
SCHEMBL13488648 0.76 NPSR1 (0.33) MAPTKDM4EALDH1A1
SCHEMBL3032436 0.76 SLC6A2 (0.36) HRH3MAPTHTR1AKCNH2ESR1
SCHEMBL3037414 0.75 TP53 (0.37) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436184-B2 6-(biphenyl-ester)-3H-naphtho[2,1-b]pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE (FR) 2013-05-07 US disclosed
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 HRH3 619/4885MAPT 4476/4885ALDH2 1888/4885

“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.