SCHEMBL3040921

SCHEMBL3040921

CCCCCCCCCCCCOc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccc(OCCCCCC)cc3)(c3ccc(N5CCC(C)CC5)cc3)O4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 14/20 0.38
MAOB P27338 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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 0.96 HRH3 (0.37) MAPTHRH3MAOBTHRATHRB
SCHEMBL3207189 0.92 HRH3 (0.38) MAPTHRH3MAOBTHRATHRB
SCHEMBL3213924 0.92 HRH3 (0.38) MAPTHRH3THRATHRBHPGD
SCHEMBL3042124 0.91 HRH3 (0.33) MAPTHRH3HPGDCHRM2CHRM4
SCHEMBL3036691 0.91 THRA (0.37) HRH3THRATHRBDRD2DRD4
SCHEMBL3032436 0.88 SLC6A2 (0.36) MAPTHRH3THRATHRBDRD2
SCHEMBL3037414 0.88 TP53 (0.37) HRH3THRATHRB
SCHEMBL3210078 0.87 HRH3 (0.36) MAPTHRH3MAOBHPGDDRD2
SCHEMBL13219242 0.85 PDK2 (0.33) HRH3THRATHRBDRD2DRD4
SCHEMBL13219248 0.83 ACHE (0.36) HRH3THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249136-B2 3H-naphtho [2,1-B] pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-02-02 US disclosed
US-9249136-B2 3H-naphtho [2,1-B] pyrans as photochromic dichroic dyes and optical article containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-02-02 US disclosed
EP-2066650-B1 3H-NAPHTHO[2,1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INT (FR) 2011-12-21 EP disclosed
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
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 MAPT 4224/4885HRH3 533/4885MAOB 1608/4885

“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.