SCHEMBL15031976

SCHEMBL15031976

CCc1c(C)sc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 3/20 0.36
ELANE P08246 2/20 0.36
FLT3 P36888 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 3/20 0.34

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
SCHEMBL18117485 0.96 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL21603883 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL18117472 0.81 KDM4E (0.38) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL21603780 0.80 MEN1 (0.41) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL1143872 0.79 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL13569707 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL10239408 0.75 RAB9A (0.35) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL22789230 0.72 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL22789273 0.72 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EALOX15HSD17B10
SCHEMBL2096219 0.72 CYP1A2 (0.38) ALDH1A1MAPTKDM4EALOX15HSD17B10

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-20130150399-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-06-13 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-20130150399-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE XBP1, HSPA5, RNASE1 ALDH1A1 4357/4885MAPT 2111/4885KDM4E 2583/4885

“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.