SCHEMBL13593168

SCHEMBL13593168

CC(C)=C/C=C/C(C)=C/C=N/c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.37
MEN1 O00255 5/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
POLB P06746 3/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 3/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 3/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
PTGS1 P23219 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
SCHEMBL10031422 0.82 NOS3 (0.36) KMT2AMEN1NOS3NOS1ALDH1A1
SCHEMBL10064354 0.81 NOS1 (0.39) KMT2AMEN1NOS3NOS1ALDH1A1
SCHEMBL10064564 0.76 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL13790518 0.76 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL3910252 0.74 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL11192501 0.71 MAOB (0.46) ALDH1A1MAPTRECQLTSHRALOX15
SCHEMBL13035384 0.71 NOS3 (0.39) KMT2AMEN1NOS3NOS1ALDH1A1
SCHEMBL13790583 0.69 KMT2A (0.55) KMT2AMEN1NOS3NOS1ALDH1A1
SCHEMBL13871006 0.69 NR1I2 (0.39) ALDH1A1RECQLTSHRALOX15HSD17B10
SCHEMBL8607892 0.68 NOS3 (0.36) KMT2AMEN1NOS3NOS1ALDH1A1

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-7632973-B2 Methods for preparing aldehydes by self-aldol condensation LOYOLA UNIVERSITY OF CHICAGO (US) 2009-12-15 US disclosed
US-20090270658-A1 Methods for preparing aldehydes by self-aldol condensation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 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-20090270658-A1 Methods for preparing aldehydes by self-aldol condensation ADH1C, ALDH1A1, ADH1A KMT2A 1240/4885MEN1 1300/4885NOS3 3489/4885

“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.