SCHEMBL13488498

SCHEMBL13488498

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ESR1 P03372 5/20 0.38
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 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
SCHEMBL3207189 0.88 HRH3 (0.38) KMT2ASMN1; SMN2ESR1ALDH1A1MEN1
SCHEMBL3036691 0.88 THRA (0.37) KMT2ASMN1; SMN2THRATHRBTP53
SCHEMBL13488495 0.87 KMT2A (0.36) KMT2ASMN1; SMN2ESR1ALDH1A1MEN1
SCHEMBL3037414 0.87 TP53 (0.37) MAPK1THRATHRBRAB9ATP53
SCHEMBL3031793 0.83 HRH3 (0.38) ALDH1A1MAPK1TDP1CNR1CNR2
SCHEMBL3032436 0.83 SLC6A2 (0.36) KMT2AESR1MEN1THRATHRB
SCHEMBL13219248 0.81 ACHE (0.36) THRATHRBTP53
SCHEMBL13219244 0.80 HRH3 (0.37) THRATHRBTP53
SCHEMBL13694880 0.80 HTR7 (0.32) KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL13488507 0.80 MAPT (0.35) KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1

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 3 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-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 KMT2A 2816/4885SMN1; SMN2 3150/4885ESR1 575/4885

“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.