SCHEMBL21644546

SCHEMBL21644546

CC(C)c1cc(C(=O)Nc2ccc(F)cc2)c(O)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.56
BCL2 P10415 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
SNCA P37840 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
PLG P00747 1/20 0.46
KLK1 P06870 1/20 0.46
KLK6 Q92876 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL21644634 0.85 BCL2 (0.69) BCL2SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL21644609 0.85 SMN1; SMN2 (0.54) BCL2SMN1; SMN2RAB9AHTTMEN1
SCHEMBL21644512 0.83 NPC1 (0.59) BCL2KDM4ERAB9AHTTNPC1
SCHEMBL21644656 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNARAB9AHTTMEN1
SCHEMBL30779608 0.78 SMN1; SMN2 (0.53) BCL2SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL21644533 0.78 SMN1; SMN2 (0.53) BCL2SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL21644578 0.77 ALDH1A1 (0.59) SMN1; SMN2MAPTLMNARAB9AMAPK1
SCHEMBL21644571 0.76 KCNMA1 (0.60) BCL2SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL21644717 0.76 NPC1 (0.53) MAPTRAB9ANPC1
SCHEMBL30779594 0.76 ESR1 (0.51) BCL2MAPTRAB9ANPC1HDAC1

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 P2RX1 3990/4885BCL2 656/4885SMN1; SMN2 4067/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 P2RX1 3990/4885BCL2 656/4885SMN1; 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.