SCHEMBL10176343

SCHEMBL10176343

C=C(c1cccc(-c2cc(CO)c(CO)c(CO)c2)c1)c1cc2ccccc2n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PLA2G10 O15496 10/20 0.42
HAO1 Q9UJM8 1/20 0.34
IL1R1 P14778 1/20 0.30
FOLH1 Q04609 1/20 0.30
CYP19A1 P11511 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10176339 0.74 TSHR (0.35) ALDH1A1TSHRPLA2G10HAO1IL1R1
SCHEMBL10176177 0.72 CA12 (0.49) ALDH1A1TSHRPLA2G10HAO1MAPT
SCHEMBL10176353 0.70 FLT3 (0.38) ALDH1A1TSHRMAPT
SCHEMBL10176337 0.65 PDE4A (0.39)
SCHEMBL10176489 0.65 ALDH1A1 (0.48) ALDH1A1TSHRPLA2G10
SCHEMBL16902648 0.64 RORC (0.46) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL21507372 0.63 ALDH1A1 (0.59) ALDH1A1TSHRPLA2G10HAO1CYP19A1
SCHEMBL5208338 0.62 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10
SCHEMBL30194196 0.62 ALDH1A1 (1.00) ALDH1A1TSHRPLA2G10
SCHEMBL28236106 0.62 TSHR (0.54) ALDH1A1TSHRPLA2G10HAO1CYP19A1

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 ALDH1A1 1001/4885TSHR 4545/4885PLA2G10 3253/4885

“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.