SCHEMBL1815795

SCHEMBL1815795

Cc1ccc2c(c1)C(C(=O)O)c1cc(O)c3cc(C)ccc3c1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.36
LDHB P07195 3/20 0.36
CSNK2A1 P68400 2/20 0.35
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LCK P06239 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 3/20 0.31
GFER P55789 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHEK1 O14757 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL1815926 0.85 NR4A2 (0.32) LDHALDHBLCKMAPTMEN1
SCHEMBL10111002 0.81 GRM2 (0.36) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL9449550 0.78 ESR1 (0.40) CSNK2A1ESR1ESR2ALDH1A1MAPT
SCHEMBL1067272 0.74 THRB (0.40) MAPTMEN1KMT2APOLBGAA
SCHEMBL9449539 0.71 HDAC3 (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1816499 0.69 LCK (0.56) CSNK2A1ESR1ESR2LCKALDH1A1
SCHEMBL9898696 0.69 EDNRB (0.40) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL20169172 0.67 LMNA (0.44) CSNK2A1ALDH1A1MEN1KMT2APOLB
SCHEMBL10134245 0.65 PDK2 (0.35) LDHALDHBLCKALDH1A1MAPT
SCHEMBL3163666 0.65 MCL1 (0.53) LDHALDHBCSNK2A1ALBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 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-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 LDHA 1769/4885LDHB 2930/4885CSNK2A1 1093/4885

“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.