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Sugi Predict / Compounds / SCHEMBL9897584

SCHEMBL9897584

SCHEMBL9897584

COC(=O)C1(C)c2cc(-c3ccccc3)ccc2-c2c1c1c(c3ccc(OC)cc23)OC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ERCC5 P28715 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL29565450 0.96 ESR1 (0.33) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL23800886 0.96 ESR1 (0.33) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL9898120 0.91 TRPV1 (0.32) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL9926894 0.88 PDK2 (0.37) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL29565411 0.88 PDK2 (0.37) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL9898547 0.87 MEN1 (0.34) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL9899115 0.87 KDM4E (0.34) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL9898943 0.85 GPR84 (0.34) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL29565435 0.85 GPR84 (0.34) GPR84ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL15028784 0.85 ESR1 (0.36) GPR84ALDH1A1KDM4EHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 — — US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 — — US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 — — US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 — — WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 — — US disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 — — 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 GPR84 4624/4885ADORA3 2087/4885ALDH1A1 431/4885

“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.