SCHEMBL3207189

SCHEMBL3207189

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
ESR1 P03372 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 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
SCHEMBL3040921 0.92 MAPT (0.39) HRH3THRATHRBMAPTHPGD
SCHEMBL3213924 0.92 HRH3 (0.38) HRH3THRATHRBSMN1; SMN2MAPT
SCHEMBL3039044 0.90 HRH3 (0.37) HRH3ESR1THRATHRBMAPT
SCHEMBL13488498 0.88 KMT2A (0.38) ESR1THRATHRBKMT2ASMN1; SMN2
SCHEMBL3042124 0.84 HRH3 (0.33) HRH3MAPTPOLBHPGDMAPK1
SCHEMBL3036691 0.84 THRA (0.37) HRH3THRATHRBKMT2ASMN1; SMN2
SCHEMBL3210078 0.82 HRH3 (0.36) HRH3ESR1ALDH1A1MAPTHPGD
SCHEMBL13488648 0.82 NPSR1 (0.33) KMT2AALDH1A1MAPTPOLBMAPK1
SCHEMBL3032436 0.82 SLC6A2 (0.36) HRH3ESR1THRATHRBKMT2A
SCHEMBL3037414 0.81 TP53 (0.37) HRH3THRATHRBMAPK1

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 6 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 claimed
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 claimed
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-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
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 619/4885ESR1 575/4885THRA 396/4885

“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.