SCHEMBL1952890

SCHEMBL1952890

OCCCCCCNc1cc2cccc3c4cccc5cccc(c(c1Br)c23)c54

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ PDE5A O76074 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ KCNH3 Q9ULD8 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL1952894 0.82 KDM4E (0.46) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL30471934 0.71 KDM4E (0.97) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL29193153 0.70 KDM4E (0.45) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL1952892 0.69 ALDH1A1 (0.40) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL29386870 0.67 CYP1A2 (0.47) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL1188389 0.67 CYP1A2 (0.47) ALDH1A1HPGDTSHRHSD17B10KMT2A
SCHEMBL11111574 0.65 ALDH1A1 (0.90) KDM4EALDH1A1MAPTGAAHPGD
Ethylene Glycol SCHEMBL4050504 0.64 ALDH1A1 (0.55) KDM4EALDH1A1MAPTGAAHPGD
Propanol SCHEMBL28053966 0.63 ALDH1A1 (0.48) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL20961730 0.62 ALDH1A1 (0.51) KDM4EALDH1A1MAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618298-B2 Perylene tetracarboximide derivatives for photovoltaic devices SOLVAY SA (BE) 2013-12-31 — — US disclosed
US-20110130566-A1 Perylene tetracarboximide derivatives for photovoltaic devices SOLVAY SA (BE) 2011-06-02 — — US disclosed
WO-2010012710-A1 PERYLENE TETRACARBOXIMIDE DERIVATIVES FOR PHOTOVOLTAIC DEVICES SOLVAY SA (BE) 2010-02-04 — — 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-20110130566-A1 Perylene tetracarboximide derivatives for photovoltaic devices CDYL, CDY1; CDY1B, ZYX KDM4E 471/4885ALDH1A1 3194/4885MAPT 3274/4885

“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.

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