SCHEMBL21119121

SCHEMBL21119121

CC(C)c1ccc2c(c1)CC(SCC(C)c1ccc3c(c1)C(=O)CCC3)CC2=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAOA P21397 11/20 0.33
MAOB P27338 11/20 0.33
PRKCI P41743 1/20 0.33
CYP2A6 P11509 1/20 0.33
AR P10275 2/20 0.33
BAZ2B Q9UIF8 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD17B1 P14061 1/20 0.31

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
SCHEMBL23417376 0.83 KDM4E (0.35) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1401942 0.77 MAOA (0.48) ALDH1A1KDM4EMAPTMAOAMAOB
SCHEMBL14849265 0.74 HPGD (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL12376488 0.74 MAOA (0.56) KDM4EMAOAMAOBPRKCICYP2A6
SCHEMBL21659213 0.70 MAOA (0.50) MAOAMAOBPRKCICYP2A6BAZ2B
SCHEMBL8599617 0.69 PBRM1 (0.53) ALDH1A1KDM4EMAPTMAOAMAOB
SCHEMBL20841064 0.67 MAOA (0.37) ALDH1A1KDM4ECYP3A4MAOAMAOB
SCHEMBL1856486 0.66 HSD17B10 (0.53) KDM4EMAOAMAOBPRKCIBAZ2B
SCHEMBL10249135 0.66 LMNA (0.38) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL23789055 0.64 MAOA (0.53) MAOAMAOBPRKCICYP2A6BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2019-06-06 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-20190169164-A1 BENZAZEPINE COMPOUNDS, CONJUGATES, AND USES THEREOF TLR8, TLR3, TLR5 ALDH1A1 1472/4885KDM4E 877/4885CYP3A4 2534/4885

“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.