SCHEMBL14286503

SCHEMBL14286503

COc1ccc(-c2c(S)n[nH]c2-c2cc(C(C)C)c(O)cc2O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 8/20 0.40
▸ HSP90AB1 P08238 8/20 0.39
▸ KMT2A Q03164 7/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ALOX12 P18054 4/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL1343116 0.94 HSP90AA1 (0.38) HSP90AA1HSP90AB1KMT2AMEN1SIRT5
SCHEMBL1147962 0.84 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPK1ALDH1A1TP53
SCHEMBL1148628 0.83 MEN1 (0.35) KMT2AMEN1ALOX12ALOX15LMNA
SCHEMBL16541252 0.82 HSP90AA1 (0.39) HSP90AA1HSP90AB1KMT2AMEN1SIRT5
SCHEMBL13677641 0.80 HSP90AA1 (0.37) HSP90AA1HSP90AB1KMT2AMEN1ALOX12
SCHEMBL1147883 0.76 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALOX12LMNAMAPK1
SCHEMBL1343583 0.75 ALDH1A1 (0.38) HSP90AA1HSP90AB1KMT2AMEN1ALOX12
SCHEMBL1148531 0.75 CHEK1 (0.34) HSP90AA1HSP90AB1ALOX12LMNAMAPK1
SCHEMBL1148563 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1KMT2AMEN1ALOX15
SCHEMBL1148623 0.74 HSP90AA1 (0.35) HSP90AA1HSP90AB1KMT2AMEN1ALOX12

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-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 — — US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 — — 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-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885KMT2A 892/4885

“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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