SCHEMBL2014165

SCHEMBL2014165

CC1(C)c2cc(CC(=O)O)c3cc(C(F)(F)F)ccc3c2-c2cc(Br)cc(Br)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGDR2 Q9Y5Y4 9/20 0.33
PARK7 Q99497 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PPARD Q03181 4/20 0.32
PPARA Q07869 4/20 0.32
PPARG P37231 3/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL29664191 0.82 MEN1 (0.32) PARK7
SCHEMBL1962107 0.80 CYP2C19 (0.42)
SCHEMBL29664145 0.80 CYP2C19 (0.42)
SCHEMBL17043258 0.75
SCHEMBL1962777 0.71 MAPT (0.42)
SCHEMBL6113940 0.69 PTGS2 (0.31)
SCHEMBL16713281 0.66 SLC6A2 (0.44) RXRARXRBRXRG
SCHEMBL15524659 0.66 RXRA (0.50) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL1958041 0.66 LMNA (0.33)
SCHEMBL9933671 0.66 TDP2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX AKR1C3 2370/4885AKR1C2 2562/4885RXRA 1471/4885

“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.