SCHEMBL9933401

SCHEMBL9933401

COC(=O)c1cc(OC(C)=O)c2c(OC)cccc2c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
POLB P06746 1/20 0.41
PAX8 Q06710 1/20 0.41
NR4A2 P43354 2/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 6/20 0.40
USP2 O75604 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL9899201 0.86 NR4A2 (0.46) DHODHNR4A2ALDH1A1HPGDKDM4E
SCHEMBL1011786 0.85 DHODH (0.45) DHODHPOLBPAX8NR4A2ALDH1A1
SCHEMBL1009498 0.83 TSHR (0.48) DHODHNR4A2ALDH1A1HPGDKDM4E
SCHEMBL31435276 0.82 KDM4E (0.46) DHODHPOLBALDH1A1HPGDKDM4E
SCHEMBL1332988 0.82 KDM4E (0.46) DHODHPOLBALDH1A1HPGDKDM4E
SCHEMBL9899016 0.81 NR4A2 (0.50) NR4A2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7781999 0.81 TSHR (0.44) DHODHNR4A2FABP3FABP4FABP5
SCHEMBL9899615 0.80 PLA2G2A (0.49) NR4A2ALDH1A1HPGDKDM4EMAPT
SCHEMBL6200456 0.79 HSD17B10 (0.42) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL1010947 0.78 DHODH (0.48) DHODHNR4A2ALDH1A1HPGDKDM4E

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 5 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
US-8920928-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2014-12-30 US disclosed
EP-2651914-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
WO-2012082999-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 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-20120156508-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS CRY2, CRY1, IPO4 DHODH 276/4885POLB 740/4885PAX8 2225/4885

“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.