SCHEMBL17482902

SCHEMBL17482902

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 2/20 0.32
FTO Q9C0B1 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
PRMT1 Q99873 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL24647794 0.94 MAPT (0.35) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL17482900 0.94 ALDH1A1 (0.36) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL21666432 0.92 PDK2 (0.37) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL15275892 0.91 HPGD (0.34) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL15276039 0.90 ALDH1A1 (0.37) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL15276060 0.90 ALDH1A1 (0.37) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL26357175 0.90 PDK2 (0.34) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL26357178 0.90 PDK2 (0.34) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL24646658 0.89 PDK2 (0.35) ALDH1A1MAPTCYP2C19TDP1CYP2C9
SCHEMBL15275854 0.89 ALDH1A1 (0.37) ALDH1A1MAPTCYP2C19TDP1CYP2C9

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-20160035986-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-02-04 US disclosed
US-20160035986-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-02-04 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-20160035986-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 ALDH1A1 362/4885MAPT 2349/4885CYP2C19 828/4885

“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.