SCHEMBL30277591

SCHEMBL30277591

CC(C)c1cc(C(=O)N(Cc2ccc(C(=O)O)cc2)c2ccc3c(c2)OCO3)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.49
▸ ALOX5 P09917 4/20 0.49
▸ HPGD P15428 1/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ RXRA P19793 1/20 0.44
▸ LTC4S Q16873 1/20 0.44
▸ NR1H4 Q96RI1 6/20 0.44
▸ BCL2 P10415 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GPX4 P36969 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL30277584 0.93 HPGD (0.43) PTGESALOX5HPGDRXRANR1H4
SCHEMBL30277639 0.91 NPSR1 (0.43) PTGESALOX5HPGDRXRANR1H4
SCHEMBL30277512 0.88 PTGES (0.58) PTGESALOX5RXRALTC4SNR1H4
SCHEMBL30277581 0.87 PTGES (0.66) PTGESALOX5RXRALTC4SNR1H4
SCHEMBL30277574 0.85 PTGES (0.58) PTGESALOX5RXRALTC4SNR1H4
SCHEMBL30277622 0.85 PTGES (0.56) PTGESALOX5HPGDRXRALTC4S
SCHEMBL30277675 0.85 PTGES (0.56) PTGESALOX5RXRALTC4SNR1H4
SCHEMBL30277472 0.85 PTGES (0.56) PTGESALOX5RXRALTC4SNR1H4
SCHEMBL30277679 0.83 PTGES (0.49) PTGESALOX5RXRALTC4SNR1H4
SCHEMBL30277736 0.80 HSP90AA1 (0.60) PTGESALOX5RXRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398823-A1 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 TAIPEI MEDICAL UNIVERSITY (TW) 2024-12-05 — — US disclosed
EP-4399198-A2 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 Taipei Medical University (TW) 2024-07-17 — — EP disclosed
WO-2023035005-A2 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 TAIPEI MEDICAL UNIVERSITY (TW) 2023-03-09 — — WO 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 (1 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-20240398823-A1 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 HSP90AB1, HDAC6, HSP90AB2P PTGES 3411/4885ALOX5 4457/4885HPGD 1329/4885

“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.

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