SCHEMBL10098355

SCHEMBL10098355

CCC(C)(CC)COC(=O)C(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
HMGCR P04035 4/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNB1 Q02641 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
GLRA3 O75311 1/20 0.36

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
SCHEMBL6396663 0.93 CYP1A2 (0.43) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL5974600 0.89 LMNA (0.40) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL1894653 0.87 HMGCR (0.40) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL490322 0.85 HMGCR (0.44) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL30559748 0.85 HMGCR (0.44) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL6056065 0.83 CA2 (0.42) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL1650112 0.83 ALDH1A1 (0.40) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL4773329 0.82 LMNA (0.42) LMNARECQLHMGCRGPR55CYP1A2
SCHEMBL28115084 0.80 ESR1 (0.44) LMNARECQLGPR55GAAALDH1A1
SCHEMBL887986 0.79 GPR55 (0.40) LMNARECQLHMGCRGPR55CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045616-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-02-23 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-20120045616-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR FORMING CURED FILM, CURED FILM, ORGANIC EL DISPLAY DEVICE AND LIQUID CRYSTAL DISPLAY DEVICE PELP1, EED, ARCN1 LMNA 2194/4885RECQL 556/4885HMGCR 4255/4885

“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.