SCHEMBL10176353

SCHEMBL10176353

C=C(c1cccc(-c2cc(CO)c(CO)c(CO)c2)c1)c1cc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 1/20 0.38
DAO P14920 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 3/20 0.36
PIK3CA P42336 3/20 0.36
IDO1 P14902 1/20 0.36
MAP2K1 Q02750 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35
AKR1C3 P42330 2/20 0.34
CNR1 P21554 1/20 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
SCHEMBL10176252 0.83 KDM4E (0.50) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10176247 0.80 FLT3 (0.44) FLT3KDM4EMAPTDAOHPGD
SCHEMBL13814197 0.78 NPC1 (0.54) FLT3KDM4EMAPTDAOHPGD
SCHEMBL5653870 0.71 FLT3 (0.64) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10176182 0.71 FLT3 (0.54) FLT3KDM4EMAPTHPGDHSD17B10
SCHEMBL10176343 0.70 ALDH1A1 (0.43) MAPTALDH1A1TSHR
SCHEMBL10176337 0.68 PDE4A (0.39) MAPK1
SCHEMBL10227650 0.67 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL10176256 0.66 DRD2 (0.45) FLT3KDM4EMAPTDAOHPGD
SCHEMBL29962341 0.65 CYP1A2 (0.42) FLT3KDM4EMAPTDAOHPGD

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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-01-26 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-20120022121-A1 INDOLES, DERIVATIVES AND ANALOGS THEREOF AND USES THEREFOR TUBB, TUBB3, TUBB1 FLT3 3889/4885KDM4E 3306/4885MAPT 56/4885

“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.