SCHEMBL16871209

SCHEMBL16871209

C=CC(c1ccccc1)C(O)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 12/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CSNK1D P48730 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NCS1 P62166 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ PTPN12 Q05209 1/20 0.34
▸ PTPN13 Q12923 1/20 0.34
▸ SSU72 Q9NP77 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
SCHEMBL16871208 0.83 CASR (0.47) CASRHPGDHSP90AA1L3MBTL1
SCHEMBL28710154 0.78 CASR (0.52) CASRHPGDL3MBTL1
SCHEMBL29449583 0.78 CASR (0.52) CASRHPGDL3MBTL1
SCHEMBL16871130 0.72 CASR (0.46) CASRTP53L3MBTL1
SCHEMBL18083240 0.68 HSP90AA1 (0.37) HSP90AA1
SCHEMBL5720317 0.67 CASR (0.51) CASRHPGDMAPK1TP53L3MBTL1
SCHEMBL9811250 0.67 HPGD (0.43) CASRHPGDCSNK1DMAPK1NCS1
SCHEMBL3640747 0.66 CASR (0.45) CASRHPGDMAPK1L3MBTL1
SCHEMBL7544923 0.66 CASR (0.64) CASRHPGDL3MBTL1
SCHEMBL16871360 0.66 CASR (0.48) CASRHPGDCSNK1DL3MBTL1

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-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — US disclosed
US-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — 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-20150183772-A1 ALKYLATION OF AZOLES AKR1C3, DCXR, AKR1C2 CASR 3720/4885HPGD 2339/4885CSNK1D 159/4885

“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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