SCHEMBL9933239

SCHEMBL9933239

COc1cccc2c(-c3ccc(-c4ccccc4)cc3)c(C(=O)O)cc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
CDK2 P24941 1/20 0.46
ACMSD Q8TDX5 3/20 0.44
DHODH Q02127 2/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HNF4A P41235 2/20 0.43
MCL1 Q07820 2/20 0.43
DHFR P00374 1/20 0.43
LTB4R Q15722 1/20 0.42
ANTXR2 P58335 1/20 0.42
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL7813325 0.97 PDE10A (0.51) PDE10AFABP3FABP4FABP5CDK2
SCHEMBL1010666 0.83 ACMSD (0.46) PDE10AFABP3FABP4FABP5ACMSD
SCHEMBL2018471 0.80 FABP3 (0.47) PDE10AFABP3FABP4FABP5ACMSD
SCHEMBL9934896 0.79 ANTXR2 (0.39) PDE10ACDK2KDM4EHPGDALDH1A1
SCHEMBL4788075 0.78 CDC25B (0.51) PDE10AFABP3FABP4FABP5DHODH
SCHEMBL9900350 0.77 THRB (0.61) ACMSDDHODHKDM4EHPGDHSD17B10
SCHEMBL9899175 0.75 SMN1; SMN2 (0.47) FABP3FABP4ACMSDDHODHKDM4E
SCHEMBL9933401 0.75 DHODH (0.42) PDE10AFABP3FABP4FABP5DHODH
SCHEMBL1009517 0.74 THRB (0.65) PDE10AACMSDDHODHKDM4EHPGD
SCHEMBL15763614 0.73 KDM4E (0.43) FABP3FABP4FABP5DHODHKDM4E

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
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-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 PDE10A 1657/4885FABP3 4011/4885FABP4 2197/4885

“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.