SCHEMBL6024784

SCHEMBL6024784

CC(=O)Oc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HTR2A P28223 3/20 0.50
SLC6A4 P31645 3/20 0.50
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47

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
SCHEMBL6690457 0.85 KDM4E (0.58) KMT2AMAPTHTTALDH1A1HPGD
SCHEMBL11820673 0.85 KDM4E (0.49) KMT2AMEN1HTR2ASLC6A4MAPT
SCHEMBL31463115 0.83 ELANE (0.60) KMT2AMEN1MAPTHTTSLC6A3
SCHEMBL27912018 0.82 CYP1A2 (0.53) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL14893362 0.82 CYP1A2 (0.53) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL10496464 0.81 PTGS2 (0.61) HTTALDH1A1HPGDTDP1KDM4E
SCHEMBL9629407 0.79 HTT (0.57) KMT2AMEN1HTR2ASLC6A4MAPT
SCHEMBL2303571 0.79 MAPT (0.60) KMT2AMEN1HTR2ASLC6A4MAPT
SCHEMBL338196 0.79 PTGS2 (0.68) HTTALDH1A1HPGDTDP1KDM4E
SCHEMBL29432883 0.79 PTGS2 (0.68) HTTALDH1A1HPGDTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779161-B2 Asenapine maleate DR. REDDY'S LABORATORIES LIMITED (IN) 2014-07-15 US disclosed
US-20130211099-A1 ASENAPINE MALEATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-15 US disclosed
EP-2582704-A2 ASENAPINE MALEATE Dr. Reddy's Laboratories Ltd. (IN) 2013-04-24 EP disclosed
WO-2011159903-A2 ASENAPINE MALEATE DR. REDDY'S LABORATORIES LTD. (IN) 2011-12-22 WO disclosed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 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-20130211099-A1 ASENAPINE MALEATE CYP3A5, AANAT, ADRA2C KMT2A 3042/4885MEN1 388/4885HTR2A 205/4885

“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.