SCHEMBL21678067

SCHEMBL21678067

CC(C)c1cc(C(=O)/C=C/c2ccccc2)c(O)cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP3A4 P08684 1/20 0.58
THRB P10828 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GUSB P08236 1/20 0.58
CYP2C19 P33261 2/20 0.56
BCHE P06276 1/20 0.56
MAOB P27338 2/20 0.56
AR P10275 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL29011938 0.81 MAPT (0.63) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL13780775 0.81 MAPT (0.63) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL6714683 0.80 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL6714688 0.80 MAPT (0.67) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL30779687 0.79 ABCG2 (0.66) MAPTMEN1ALDH1A1CYP3A4HPGD
SCHEMBL21644528 0.79 ABCG2 (0.66) MAPTMEN1ALDH1A1CYP3A4HPGD
SCHEMBL30000672 0.79 MAPT (0.65) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL31412225 0.77 MAPT (0.61) MAPTKDM4EMEN1ALDH1A1CYP3A4
SCHEMBL5450213 0.76 GUSB (0.74) MAPTGUSBCYP2C19BCHEMAOB
SCHEMBL5450210 0.76 GUSB (0.74) MAPTGUSBCYP2C19BCHEMAOB

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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 MAPT 1750/4885KDM4E 3893/4885MEN1 4724/4885

“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.