SCHEMBL2617092

SCHEMBL2617092

O=C1CC(=O)c2ccc3c4cccc5cccc(c6ccc1c2c63)c54

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HPGD P15428 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 8/20 0.40
CYP1A2 P05177 4/20 0.40
THRB P10828 1/20 0.40
MCL1 Q07820 2/20 0.39
CES2 O00748 1/20 0.39
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
CASP1 P29466 4/20 0.38
CASP7 P55210 3/20 0.38
CYP3A4 P08684 2/20 0.38
PABPC1 P11940 1/20 0.38
DNMT1 P26358 1/20 0.38
TSHR P16473 4/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HIF1A Q16665 2/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL14117944 1.00 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL269290 0.85 BCL2 (0.45) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL14117945 0.85 BCL2 (0.45) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL14117946 0.85 BCL2 (0.45) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL12683613 0.82 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL1231583 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL29788646 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL27657947 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL254908 0.79 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL12680819 0.78 TYMS (0.43) ALDH1A1HPGDKDM4EHSD17B10CYP1A2

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
US-9249320-B2 Polymer-bonded polycyclic aromatic hydrocarbons having nitrogen containing substituents SICPA HOLDING SA (CH) 2016-02-02 US disclosed
US-9029442-B2 Polymer-bonded perylene dyes and compositions containing same SICPA HOLDING SA (CH) 2015-05-12 US disclosed
US-20130122222-A1 POLYMER-BONDED POLYCYCLIC AROMATIC HYDROCARBONS HAVING NITROGEN CONTAINING SUBSTITUENTS SICPA HOLDING SA (CH) 2013-05-16 US disclosed
US-20120100395-A1 INDICATOR SYSTEM FOR MONITORING A STERILIZATION PROCESS BASF SE (DE) 2012-04-26 US disclosed
US-20110293899-A1 POLYMER-BONDED PERYLENE DYES AND COMPOSITIONS CONTAINING SAME SICPA HOLDING SA (CH) 2011-12-01 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-20110293899-A1 POLYMER-BONDED PERYLENE DYES AND COMPOSITIONS CONTAINING SAME PRNP, PDS5A, LCP1 ALDH1A1 1936/4885HPGD 2077/4885KDM4E 3550/4885

“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.