SCHEMBL13520164

SCHEMBL13520164

CCOC(=O)c1ccc(/C=C/c2ccc(CC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PTGER4 P35408 1/20 0.52
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
THRB P10828 1/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3126940 0.94 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3126932 0.94 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3598047 0.84 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL8427993 0.84 KMT2A (0.55) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3601937 0.83 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3071975 0.83 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1981486 0.78 KMT2A (0.67) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3500826 0.78 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3500828 0.78 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL8122176 0.78 MAPT (0.57) KMT2AALDH1A1MAPTRAB9ANPC1

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-9029840-B2 Organic nanofiber structure based on self-assembled organogel, organic nanofiber transistor using the same, and method of manufacturing the organic nanofiber transistor SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-05-12 US disclosed
US-20130069040-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2013-03-21 US disclosed
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same SAMSUNG ELECTRONICS CO., LTD. 2010-01-14 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 (2 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-20130069040-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR GAP43, NOTCH4, OGA KMT2A 3089/4885ALDH1A1 3093/4885MAPT 126/4885
US-20100006830-A1 Organic semiconductor compound based on 2,7-bis-(vinyl)[1]benzothieno[3,2-b]benzothiophene, organic semiconductor thin film and transistor using the same and methods of forming the same BPNT1, TST, SULT1E1 KMT2A 371/4885ALDH1A1 29/4885MAPT 624/4885

“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.