SCHEMBL9897863

SCHEMBL9897863

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)Cc2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
NR3C2 P08235 1/20 0.31
KIF11 P52732 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 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
SCHEMBL9897537 0.94 EDNRA (0.34) HTTEDNRAEDNRBKDM4EALDH1A1
SCHEMBL9897685 0.93 RECQL (0.32)
SCHEMBL9898456 0.88 EDNRA (0.35) HTTEDNRAEDNRBNR3C2KIF11
SCHEMBL9898206 0.88 EDNRB (0.31) HTTEDNRAEDNRBNR3C2
SCHEMBL9898546 0.88 RECQL (0.31) EDNRAEDNRB
SCHEMBL9899149 0.87 TAS1R3 (0.33) HTTEDNRAEDNRBKDM4EALDH1A1
SCHEMBL9898947 0.87 GAA (0.31) HTTKDM4EALDH1A1
SCHEMBL9899962 0.86 MAPT (0.42) HTTTP53KDM4EALDH1A1
SCHEMBL3147233 0.85 PGR (0.33) HTTKDM4EALDH1A1
SCHEMBL29664183 0.85 PGR (0.34) HTTKDM4EALDH1A1

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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 US claimed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 HTT 1417/4885EDNRA 2838/4885EDNRB 4185/4885

“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.