SCHEMBL21644598

SCHEMBL21644598

CC(C)c1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MET P08581 2/20 0.47
CYP3A4 P08684 1/20 0.46
LRRK2 Q5S007 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL30779650 1.00 HSD17B10 (0.55) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL30779559 0.91 HSD17B10 (0.57) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL21644575 0.91 HSD17B10 (0.57) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL28412349 0.88 HSD17B10 (0.55) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL21644610 0.86 KDM1A (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL30779631 0.86 KDM1A (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL21644606 0.86 TSHR (0.53) HSD17B10ALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL30779553 0.86 TSHR (0.53) HSD17B10ALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL28652995 0.86 MEN1 (0.65) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL30575480 0.86 MEN1 (0.65) HSD17B10ALDH1A1SMN1; SMN2RAB9ANPC1

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-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
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 (2 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 HSD17B10 1757/4885ALDH1A1 1138/4885SMN1; SMN2 4067/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HSD17B10 1757/4885ALDH1A1 1138/4885SMN1; SMN2 4067/4885

“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.