SCHEMBL16508373

SCHEMBL16508373

CC(C)=Nc1ccc(CC(=O)O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ SLC22A12 Q96S37 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ SRD5A2 P31213 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42

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
SCHEMBL16508325 0.77 NOS1 (0.44) NFKB1ALDH1A1
SCHEMBL969589 0.76 HPGD (0.55) HPGDHSD17B10KDM4ESLC22A12MAPT
Hydrochloric Acid SCHEMBL2530255 0.74 HPGD (0.53) HPGDHSD17B10KDM4ESLC22A12MAPT
SCHEMBL9838334 0.74 SRD5A2 (0.56) HPGDHSD17B10KDM4ESLC22A12MAPT
SCHEMBL16508323 0.73 ADH1B (0.40) —
SCHEMBL2283410 0.73 RXRA (0.53) HPGDHSD17B10KDM4ESLC22A12MAPT
SCHEMBL1362192 0.73 HPGD (0.68) HPGDHSD17B10KDM4ESLC22A12MAPT
SCHEMBL30523685 0.73 HPGD (0.68) HPGDHSD17B10KDM4ESLC22A12MAPT
SCHEMBL22799967 0.72 POLB (0.39) HPGDHSD17B10KDM4ESLC22A12MAPT
SCHEMBL1699671 0.72 KDM4E (0.50) HPGDHSD17B10KDM4ESLC22A12MAPT

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-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 — — 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-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS ABCG2, AQP1, AQP3 HPGD 2025/4885HSD17B10 2879/4885KDM4E 4769/4885

“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.

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