SCHEMBL10176339

SCHEMBL10176339

CC(c1cccc(-c2cc(CO)c(CO)c(CO)c2)c1)c1cc2ccccc2n1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HAO1 Q9UJM8 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
PLA2G10 O15496 2/20 0.31
IL1R1 P14778 1/20 0.30
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE1C Q14123 1/20 0.30
PDE3A Q14432 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP19A1 P11511 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL10176343 0.74 ALDH1A1 (0.43) TSHRALDH1A1HAO1PLA2G10IL1R1
SCHEMBL10176491 0.67 TSHR (0.42) TSHRALDH1A1MAPK1MEN1MAPT
SCHEMBL17718408 0.67 ALDH1A1 (0.53) TSHRALDH1A1HAO1PLA2G10MAPK1
SCHEMBL13425011 0.67 ALDH1A1 (0.45) TSHRALDH1A1PLA2G10MAPK1HSD17B10
SCHEMBL12534057 0.66 ALDH1A1 (0.47) TSHRALDH1A1HAO1PLA2G10MAPK1
SCHEMBL22008359 0.65 PRKCI (0.49) TSHR
SCHEMBL11377189 0.64 ALDH1A1 (0.49) TSHRALDH1A1PLA2G10MAPK1CYP19A1
SCHEMBL28236106 0.62 TSHR (0.54) TSHRALDH1A1HAO1PLA2G10CYP19A1
SCHEMBL12260369 0.62 ALDH1A1 (0.43) TSHRALDH1A1HAO1PLA2G10CYP19A1
SCHEMBL25038685 0.61 L3MBTL1 (0.50) ALDH1A1IL1R1MEN1MAPTHTT

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 TSHR 4545/4885ALDH1A1 1001/4885HAO1 4317/4885

“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.