SCHEMBL17945239

SCHEMBL17945239

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5c(c4)c4cccc6nc(-c7ccccc7)n5c64)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL17945749 0.95 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17945972 0.94 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL16613193 0.87 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17945914 0.85 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17946062 0.83 MEN1 (0.44) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17945311 0.81 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17945261 0.81 KMT2A (0.48) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17945249 0.80 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL17945698 0.78 MEN1 (0.46) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL23132061 0.77 KMT2A (0.48) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2

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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 ALDH1A1 252/4885HPGD 1235/4885KDM4E 1127/4885

“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.