SCHEMBL19549008

SCHEMBL19549008

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.82
▸ USP2 O75604 1/20 0.82
▸ CYP2C9 P11712 1/20 0.75
▸ HIF1A Q16665 1/20 0.75
▸ GPBAR1 Q8TDU6 1/20 0.75
▸ ST6GAL1 P15907 1/20 0.65
▸ ABCC4 O15439 1/20 0.62

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
SCHEMBL22871979 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL18922786 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL17777260 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL19549010 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL3694684 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL19565572 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL7996253 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL20980004 1.00 VDR (0.82) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL18576030 0.94 VDR (0.73) VDRUSP2CYP2C9HIF1AGPBAR1
SCHEMBL31504641 0.94 VDR (0.76) VDRUSP2CYP2C9HIF1AGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161102-B2 Iminium salt organocatalysts, method of making, and methods of using UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-11-02 — — US disclosed
US-20190344253-A1 IMINIUM SALT ORGANOCATALYSTS, METHOD OF MAKING, AND METHODS OF USING UNIV VIRGINIA PATENT FOUNDATION (US) 2019-11-14 — — US disclosed
US-10131688-B2 5.beta.-6-alkyl-7-hydroxy-3-one steroids as intermediates for the production of steroidal FXR modulators NZP UK Limited (GB) 2018-11-20 — — US disclosed
US-20170327531-A1 6.ALPHA.-ALKYL-6,7-DIONE STEROIDS AS INTERMEDIATES FOR THE PRODUCTION OF STEROIDAL FXR MODULATORS DEXTRA LABORATORIES LTD (GB) 2017-11-16 — — US disclosed
US-20170320907-A1 5.BETA.-6-ALKYL-7-HYDROXY-3-ONE STEROIDS AS INTERMEDIATES FOR THE PRODUCTION OF STEROIDAL FXR MODULATORS DEXTRA LABORATORIES LTD (GB) 2017-11-09 — — 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 (3 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-20170320907-A1 5.BETA.-6-ALKYL-7-HYDROXY-3-ONE STEROIDS AS INTERMEDIATES FOR THE PRODUCTION OF STEROIDAL FXR MODULATORS NR1H4, CYP7A1, GPBAR1 VDR 108/4885USP2 4557/4885CYP2C9 151/4885
US-20170327531-A1 6.ALPHA.-ALKYL-6,7-DIONE STEROIDS AS INTERMEDIATES FOR THE PRODUCTION OF STEROIDAL FXR MODULATORS NR1H4, CYP7A1, CYP7B1 VDR 94/4885USP2 4572/4885CYP2C9 182/4885
US-10131688-B2 5.beta.-6-alkyl-7-hydroxy-3-one steroids as intermediates for the production of steroidal FXR modulators NR1H4, CYP7A1, GPBAR1 VDR 108/4885USP2 4557/4885CYP2C9 151/4885

“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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