SCHEMBL580355

SCHEMBL580355

COc1ccc(OC)c(NCCCCCCCCCCCCCCCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.51
PDE5A O76074 1/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.46
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL580933 1.00 RAD52 (0.51) RAD52PDE5AKMT2ANPSR1CHRM2
SCHEMBL580480 1.00 RAD52 (0.51) RAD52PDE5AKMT2ANPSR1CHRM2
SCHEMBL580266 1.00 RAD52 (0.51) RAD52PDE5AKMT2ANPSR1CHRM2
SCHEMBL12888553 0.94 RAD52 (0.56) RAD52KMT2ANPSR1GAATP53
SCHEMBL28409276 0.89 RAD52 (0.55) RAD52KMT2ANPSR1GAATP53
SCHEMBL16406450 0.83 HDAC3 (0.47) RAD52PDE5AKMT2AHTR1AADRA1D
SCHEMBL14141593 0.82 LMNA (0.55) KMT2ANPSR1CHRM2GAATP53
SCHEMBL5663443 0.80 KMT2A (0.51) KMT2ANPSR1GAATP53MEN1
SCHEMBL27957659 0.79 KMT2A (0.50) KMT2ANPSR1GAATP53MEN1
SCHEMBL11509277 0.78 TDP1 (0.57) KMT2ANPSR1GAATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418191-A1 Long-chain trimethoxyphenylalkanol derivatives, and pharmaceuticals comprising the same Meiji Co., Ltd. (JP) 2012-02-15 EP disclosed
US-7893304-B2 Hydroquinone long-chain derivatives and/or phenoxy long-chain derivatives, and pharmaceuticals comprising the same MEIJI DAIRIES CORPORATION (JP) 2011-02-22 US disclosed
US-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 US disclosed
EP-1854777-A1 HYDROQUINONE LONG-CHAIN DERIVATIVE AND/OR PHENOXY LONG-CHAIN DERIVATIVE, AND PHARMACEUTICAL PREPARATION COMPRISING THE SAME Meiji Dairies Corporation (JP) 2007-11-14 EP 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-20090036542-A1 Hydroquinone Long-Chain Derivative and/or Phenoxy Long-Chain Derivative and Pharmaceutical Comprising Same NQO1, NDUFA10, UQCRC1 RAD52 1313/4885PDE5A 1899/4885KMT2A 1747/4885

“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.