SCHEMBL21644634

SCHEMBL21644634

CC(C)c1cc(C(=O)Nc2ccccc2)c(O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.69
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
GAA P10253 1/20 0.52
HSP90AA1 P07900 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 3/20 0.51
HSP90AB1 P08238 1/20 0.51
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL21644546 0.85 P2RX1 (0.56) BCL2MEN1KMT2ALMNAHTT
SCHEMBL21644512 0.85 NPC1 (0.59) BCL2HTTKDM4ENPC1RAB9A
SCHEMBL21644609 0.85 SMN1; SMN2 (0.54) BCL2MEN1KMT2AHTTHPGD
SCHEMBL21644571 0.84 KCNMA1 (0.60) BCL2MEN1KMT2ALMNAHTT
SCHEMBL10586949 0.82 BCL2 (0.69) BCL2MEN1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL27171839 0.80 BCL2 (0.67) BCL2MEN1KMT2ALMNAHTT
SCHEMBL30779608 0.80 SMN1; SMN2 (0.53) BCL2MEN1KMT2ALMNAHTT
SCHEMBL21644533 0.80 SMN1; SMN2 (0.53) BCL2MEN1KMT2ALMNAHTT
SCHEMBL4066925 0.80 BCL2 (0.52) BCL2MEN1KMT2ALMNAHTT
SCHEMBL21644539 0.80 TMPRSS4 (0.63) HPGDKDM4EHSD17B10TMPRSS4NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN 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 BCL2 656/4885MEN1 4724/4885KMT2A 4247/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 BCL2 656/4885MEN1 4724/4885KMT2A 4247/4885

“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.