SCHEMBL6300889

SCHEMBL6300889

CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC3OC32C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 10/20 0.55
▸ USP2 O75604 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ CDC25A P30304 4/20 0.51
▸ POLA1 P09884 2/20 0.51
▸ VDR P11473 1/20 0.50
▸ CDC25B P30305 1/20 0.49
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 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
SCHEMBL9133868 1.00 NPC1L1 (0.55) NPC1L1USP2LMNAMEN1TP53
SCHEMBL6303110 1.00 NPC1L1 (0.55) NPC1L1USP2LMNAMEN1TP53
SCHEMBL6300887 1.00 NPC1L1 (0.55) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16163620 1.00 NPC1L1 (0.55) NPC1L1USP2LMNAMEN1TP53
SCHEMBL26121912 0.90 NPC1L1 (0.53) NPC1L1USP2LMNAMEN1TP53
SCHEMBL26979040 0.90 NPC1L1 (0.53) NPC1L1USP2LMNAMEN1TP53
SCHEMBL26121915 0.90 NPC1L1 (0.53) NPC1L1USP2LMNAMEN1TP53
SCHEMBL16163667 0.90 USP2 (0.50) NPC1L1USP2LMNAMEN1TP53
SCHEMBL14976644 0.90 USP2 (0.50) NPC1L1USP2LMNAMEN1TP53
Acetic Acid SCHEMBL9580320 0.89 NPC1L1 (0.65) NPC1L1USP2LMNAMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841665-B2 Method for synthesizing 5β, 6β-epoxides of steroids by a highly β-selective epoxidation of ΔΔ5-unsaturated steroids catalyzed by ketones THE UNIVERSITY OF HONG KONG (CN) 2005-01-11 — — US disclosed
WO-2003074545-A1 METHOD FOR SYNTHESIZING 5ß, 6ß-EPOXIDES OF STEROIDS BY A HIGHLY ß-SELECTIVE EPOXIDATION OF Δ5-UNSATURATED STEROIDS CATALYZED BY KETONES THE UNIVERSITY OF HONG KONG (CN) 2003-09-12 — — WO disclosed
US-20030018188-A1 Method for synthesizing 5beta, 6beta-epoxides of steroids by a highly beta-selective epoxidation of delta5-unsaturated steroids catalyzed by ketones UNIVERSITY OF HONG KONG, THE (HK) 2003-01-23 — — US disclosed
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 — — US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 — — EP disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 — — US disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 — — EP 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-20030018188-A1 Method for synthesizing 5beta, 6beta-epoxides of steroids by a highly beta-selective epoxidation of delta5-unsaturated steroids catalyzed by ketones SRD5A2, HSD17B7, SRD5A1 NPC1L1 2149/4885USP2 1794/4885LMNA 3164/4885

“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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