SCHEMBL1078697

SCHEMBL1078697

COC(=O)c1cccc2ccn(CC(OC)OC)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
CFTR P13569 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL1080174 0.87 MAPK1 (0.38) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL29664577 0.81 CNR2 (0.44) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL18394802 0.81 CNR2 (0.44) ALDH1A1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL1077377 0.80 NR4A2 (0.39) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL6919488 0.80 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10POLBSMN1; SMN2
SCHEMBL12750465 0.78 KDM4E (0.43) KDM4EALDH1A1HSD17B10POLBSMN1; SMN2
SCHEMBL10019032 0.78 PTGER4 (0.49) KDM4EALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL13557127 0.78 MAPK1 (0.44) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL1078681 0.77 MAPK1 (0.39) KDM4EALDH1A1HSD17B10POLBSMN1; SMN2
SCHEMBL6918987 0.77 F2 (0.43) KDM4EALDH1A1HSD17B10HPGDUSP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 EP disclosed
WO-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 WO 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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KDM4E 3629/4885ALDH1A1 2992/4885HSD17B10 2294/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KDM4E 3629/4885ALDH1A1 2992/4885HSD17B10 2294/4885

“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.