SCHEMBL10150867

SCHEMBL10150867

O=C1/C=C/CCC2CC2C[C@H](c2ccccc2)OC(=O)c2c(O)cc(O)c(Cl)c2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.58
MAPT P10636 3/20 0.44
HSP90AA1 P07900 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NLRP3 Q96P20 1/20 0.44
CBR1 P16152 1/20 0.44
PTGS2 P35354 1/20 0.44
ACLY P53396 1/20 0.44
FTO Q9C0B1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
STAT6 P42226 3/20 0.36
SMAD3 P84022 3/20 0.36
SMAD2 Q15796 3/20 0.36

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
SCHEMBL10150124 0.88 HSP90AB1 (0.73) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL14293412 0.86 HSP90AB1 (0.58) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL19418317 0.85 HSP90AB1 (0.56) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL10150865 0.84 F13A1 (0.56) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL10150870 0.84 F13A1 (0.56) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL10150021 0.84 HSP90AB1 (0.70) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL10150863 0.84 HSP90AB1 (0.76) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL10150018 0.84 HSP90AB1 (0.70) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL10150864 0.84 HSP90AB1 (0.76) HSP90AB1MAPTHSP90AA1MEN1KMT2A
SCHEMBL19418321 0.83 HSP90AB1 (0.61) HSP90AB1MAPTHSP90AA1MEN1KMT2A

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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885MAPT 1982/4885HSP90AA1 2/4885

“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.