SCHEMBL14616986

SCHEMBL14616986

O=C1[C@H]2c3ccccc3[C@@H]1c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.43
ANPEP P15144 2/20 0.41
HTT P42858 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HTR2A P28223 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL12550536 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL12854950 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL14642823 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL12854948 0.91 MEN1 (0.48) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL12854974 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL11863740 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL15702897 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL12854953 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL12550552 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TP53CYP3A4
SCHEMBL12550538 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1TP53CYP3A4

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-9034439-B2 Synthesis and applications of soluble pentacene precursors and related compounds ACADEMIA SINICA (TW) 2015-05-19 US disclosed
US-9034439-B2 Synthesis and applications of soluble pentacene precursors and related compounds ACADEMIA SINICA (TW) 2015-05-19 US disclosed
US-20130017497-A1 SYNTHESIS AND APPLICATIONS OF SOLUBLE PENTACENE PRECURSORS AND RELATED COMPOUNDS ACADEMIA SINICA (TW) 2013-01-17 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-20130017497-A1 SYNTHESIS AND APPLICATIONS OF SOLUBLE PENTACENE PRECURSORS AND RELATED COMPOUNDS HVCN1, DHPS, HCN1 MEN1 1708/4885KMT2A 2536/4885ALDH1A1 1176/4885

“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.