SCHEMBL2970063

SCHEMBL2970063

COc1ccc2[nH]c3c(c2c1)CCNCC3

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.81
CYP1A2 P05177 3/20 0.81
CYP2D6 P10635 3/20 0.81
ALOX15 P16050 3/20 0.81
TSHR P16473 2/20 0.81
RECQL P46063 2/20 0.81
LMNA P02545 1/20 0.81
THRB P10828 1/20 0.81
NFKB1 P19838 1/20 0.81
PMP22 Q01453 1/20 0.81
HTR7 P34969 3/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
NISCH Q9Y2I1 1/20 0.63
KMT2A Q03164 3/20 0.59
RAD52 P43351 1/20 0.59
USP2 O75604 1/20 0.59
CYP2C9 P11712 1/20 0.59
HTR1D P28221 1/20 0.59

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
SCHEMBL29440302 0.90 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL968283 0.90 HSD17B10 (0.79) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL329762 0.90 HSD17B10 (1.00) HSD17B10CYP1A2CYP2D6ALOX15TSHR
Hydrochloric Acid SCHEMBL18346074 0.88 HSD17B10 (0.77) HSD17B10CYP1A2CYP2D6ALOX15TSHR
Hydrochloric Acid SCHEMBL31670342 0.88 HSD17B10 (0.97) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL25189080 0.88 HTR7 (0.81) HSD17B10CYP1A2CYP2D6ALOX15TSHR
Hydrochloric Acid SCHEMBL6474417 0.88 LMNA (0.64) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL6782148 0.85 LMNA (0.60) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4279959 0.84 LMNA (0.67) HSD17B10CYP1A2CYP2D6ALOX15TSHR
SCHEMBL4286367 0.84 LMNA (0.67) HSD17B10CYP1A2CYP2D6ALOX15TSHR

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HSD17B10 285/4885CYP1A2 2392/4885CYP2D6 4120/4885

“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.