SCHEMBL21644686

SCHEMBL21644686

CC(C)c1cc(NC(=O)c2cccc(F)c2)c(O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.48
KCNK3 O14649 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30779586 1.00 POLB (0.59) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL21644649 0.85 LMNA (0.60) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL30779595 0.85 LMNA (0.60) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL14825130 0.76 POLB (0.77) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL21644609 0.74 SMN1; SMN2 (0.54) MEN1KMT2AKCNK3NPC1RAB9A
SCHEMBL21644689 0.73 CES2 (0.44) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL30779636 0.73 CES2 (0.44) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL21644673 0.73 CES2 (0.44) LMNAMEN1KMT2AKDM4ENPC1
SCHEMBL30779585 0.73 CES2 (0.44) LMNAMEN1KMT2AKDM4ENPC1
SCHEMBL21644556 0.73 KDM4E (0.52) POLBLMNAMEN1KMT2AALDH1A1

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 POLB 2443/4885LMNA 3431/4885MEN1 4724/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 POLB 2443/4885LMNA 3431/4885MEN1 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.