Sugi Predict

Sugi Predict / Compounds / SCHEMBL9934603

SCHEMBL9934603

SCHEMBL9934603

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(Cl)ccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AGTR1 P30556 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ EIF4A1 P60842 1/20 0.31
▸ CTSD P07339 2/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ PGR P06401 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL9932623 0.92 KDM4E (0.36) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL29664183 0.89 PGR (0.34) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL1680041 0.89 PGR (0.34) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL9934040 0.89 HTR6 (0.31) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL3146135 0.89 ALDH1A1 (0.32) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL25606724 0.89 KDM4E (0.36) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL29664129 0.88 PGR (0.32) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL1009516 0.88 PGR (0.32) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL3147233 0.88 PGR (0.33) ALDH1A1MEN1CYP2C9CYP2C19KMT2A
SCHEMBL25717698 0.87 KDM4E (0.35) ALDH1A1MEN1CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 — — EP disclosed
EP-2651914-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-05-13 — — EP disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 — — US disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 — — US disclosed
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 — — US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — US disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 — — WO 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 AURKA 1655/4885AURKB 1572/4885ALDH1A1 1362/4885

“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.