SCHEMBL12347553

SCHEMBL12347553

CN1c2ccccc2C(C)(C)C12C=Nc1cc3c(cc1O2)N(C)C1(C=Nc2c(cc(C#N)c4ccccc24)O1)C3(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KDM4E B2RXH2 4/20 0.59
THRB P10828 4/20 0.59
LMNA P02545 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
BLM P54132 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
ALOX12 P18054 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
RECQL P46063 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL8174722 0.92 MAPT (0.65) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL12347555 0.84 MAPT (0.60) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL12347554 0.84 MAPT (0.60) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL3439061 0.84 MAPT (0.52) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL29565266 0.84 MAPT (0.52) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL12347556 0.84 MAPT (0.59) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL9063236 0.83 MAPT (0.61) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL7922835 0.81 MAPT (0.51) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL12415230 0.78 MAPT (0.70) MAPTKDM4ETHRBLMNANPSR1
SCHEMBL8525882 0.78 MAPT (0.47) MAPTKDM4ETHRBLMNANPSR1

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-8287775-B2 Photochromic material KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2012-10-16 US disclosed
US-20110198546-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-08-18 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-20110198546-A1 PHOTOCHROMIC MATERIAL PPOX, RAD51, DCLRE1A MAPT 1454/4885KDM4E 4514/4885THRB 4772/4885

“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.