SCHEMBL9934902

SCHEMBL9934902

COc1cccc2c3c(cc(O)c12)C(C)(C)c1cc(-c2ccccc2)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
RXRA P19793 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ANTXR2 P58335 1/20 0.38
EGFR P00533 1/20 0.36
PDK2 Q15119 2/20 0.36
ABCC1 P33527 3/20 0.35
PDE10A Q9Y233 1/20 0.35
ACACA Q13085 1/20 0.34
CHEK1 O14757 2/20 0.34
CDK2 P24941 2/20 0.34
FYN P06241 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
KDR P35968 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL9971715 0.86 PPARG (0.44) PPARGRXRAPPARDPPARAANTXR2
SCHEMBL1010811 0.85 EGFR (0.38) EGFRPDK2ABCC1ACACACHEK1
SCHEMBL164197 0.85 EGFR (0.38) EGFRPDK2ABCC1ACACACHEK1
SCHEMBL9933648 0.84 ALDH1A1 (0.37) EGFRCHEK1KDRMEN1KMT2A
SCHEMBL23572575 0.83 ALDH1A1 (0.38) EGFRPDK2ABCC1CHEK1CDK2
SCHEMBL30104203 0.83 ALDH1A1 (0.38) EGFRPDK2ABCC1CHEK1CDK2
SCHEMBL161727 0.81 ALOX5 (0.39) EGFRPDK2MEN1KMT2AALDH1A1
SCHEMBL10153200 0.81 PDK2 (0.37) PPARGRXRAPPARDPPARAPDK2
SCHEMBL1812200 0.80 PDK2 (0.48) PDK2CHEK1ALDH1A1
SCHEMBL10153896 0.79 PDK2 (0.37) PPARGRXRAPPARDPPARAPDK2

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
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 PPARG 2550/4885RXRA 1533/4885PPARD 2710/4885

“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.