SCHEMBL10146397

SCHEMBL10146397

CCOc1ccc2[nH]c(C)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
ESR2 Q92731 1/20 0.50
TSHR P16473 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48
PDE3B Q13370 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
SCHEMBL17702656 0.87 FGFR1 (0.45) ALDH1A1TSHRNPC1RAB9AKDM4E
SCHEMBL12909170 0.87 ALDH1A1 (0.62) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL7403118 0.85 ALDH1A1 (0.40) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL9304866 0.82 MAPT (0.49) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL917237 0.82 HSD17B10 (0.49) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL3064558 0.82 TYMS (0.56) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL1286065 0.81 KDM4E (0.57) HSD17B10ALDH1A1MAPTHPGDTSHR
SCHEMBL17292670 0.81 HSD17B10 (0.47) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL9529962 0.80 CYP3A4 (0.54) HSD17B10ALDH1A1HPGDNPC1RAB9A
SCHEMBL6759195 0.80 MEN1 (0.62) HSD17B10ALDH1A1MAPTHPGDESR2

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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
WO-2012009217-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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 (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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 HSD17B10 1254/4885ALDH1A1 1503/4885MAPT 1598/4885

“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.