SCHEMBL20865538

SCHEMBL20865538

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(-c3ccc(Oc4ccc(NC(=O)OC(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.59
▸ HPGD P15428 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ PSMB8 P28062 1/20 0.53
▸ MAP4K4 O95819 1/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ LIPE Q05469 1/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 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
SCHEMBL29131710 0.95 HPGD (0.59) CYP17A1HPGDSMN1; SMN2PSMB8MAP4K4
SCHEMBL20865536 0.91 CYP17A1 (0.68) CYP17A1SMN1; SMN2PSMB8MAP4K4CD274
SCHEMBL23966382 0.89 HPGD (0.53) CYP17A1HPGDSMN1; SMN2PSMB8NPC1
SCHEMBL29131712 0.89 HPGD (0.71) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL3978246 0.89 CYP17A1 (0.58) CYP17A1HPGDSMN1; SMN2PSMB8MAP4K4
SCHEMBL20865537 0.87 HPGD (0.51) CYP17A1HPGDSMN1; SMN2PSMB8MAP4K4
SCHEMBL20469627 0.87 MEN1 (0.53) CYP17A1HPGDSMN1; SMN2NPC1CRHBP
SCHEMBL31483499 0.87 ALDH1A1 (0.52) CYP17A1HPGDSMN1; SMN2PSMB8NPC1
SCHEMBL23637726 0.86 CYP17A1 (0.63) CYP17A1HPGDSMN1; SMN2PSMB8NPC1
SCHEMBL19853243 0.86 MTNR1B (0.58) HPGDSMN1; SMN2NPC1CRHBPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 — — US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 — — US disclosed
US-20200216600-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-07-09 — — US disclosed
WO-2019065953-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT 広栄化学工業株式会社 2019-04-04 — — 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 (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-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 CYP17A1 1738/4885HPGD 2640/4885SMN1; SMN2 2445/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 CYP17A1 1738/4885HPGD 2640/4885SMN1; SMN2 2445/4885

“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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