SCHEMBL21644533

SCHEMBL21644533

CC(C)c1cc(C(=O)Nc2ccccc2F)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.48
AR P10275 1/20 0.47
AKR1C3 P42330 1/20 0.47
HSP90AA1 P07900 2/20 0.47
RECQL P46063 1/20 0.47
HSP90AB1 P08238 1/20 0.47
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL30779608 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2
SCHEMBL21644634 0.80 BCL2 (0.69) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL10864926 0.79 KMT2A (0.77) SMN1; SMN2MEN1KMT2AUSP2POLB
SCHEMBL21644658 0.78 HPGD (0.52) ALDH1A1MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL21644546 0.78 P2RX1 (0.56) SMN1; SMN2MEN1KMT2APOLBRAB9A
SCHEMBL21644609 0.77 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2ARAB9AHTT
SCHEMBL2701324 0.76 HTT (0.76) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL21644645 0.75 KDR (0.66) SMN1; SMN2MEN1KMT2APOLBRAB9A
SCHEMBL21644672 0.74 HTT (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2
SCHEMBL21644553 0.74 PABPC1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2APOLB

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 SMN1; SMN2 4067/4885ALDH1A1 1138/4885MEN1 4724/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 SMN1; SMN2 4067/4885ALDH1A1 1138/4885MEN1 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.