SCHEMBL1688648

SCHEMBL1688648

COC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 1.00
▸ HIF1A Q16665 3/20 1.00
▸ VDR P11473 3/20 1.00
▸ CYP2C9 P11712 2/20 1.00
▸ EPHA2 P29317 5/20 0.79
▸ CASP7 P55210 3/20 0.79
▸ MAPK1 P28482 3/20 0.79
▸ MAPT P10636 3/20 0.79
▸ USP2 O75604 3/20 0.79
▸ TP53 P04637 2/20 0.79
▸ HSD17B10 Q99714 2/20 0.79
▸ BLM P54132 2/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79
▸ LMNA P02545 2/20 0.79
▸ CYP3A4 P08684 2/20 0.79
▸ MDM4 O15151 1/20 0.79
▸ HSPD1 P10809 1/20 0.79
▸ TSHR P16473 1/20 0.79
▸ PTPN2 P17706 1/20 0.79
▸ PTPN1 P18031 1/20 0.79

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
SCHEMBL18575778 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL12704721 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL10226254 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL14269208 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL23776966 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL21283583 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL23285666 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL337581 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL22079995 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2
SCHEMBL14771006 1.00 GPBAR1 (1.00) GPBAR1HIF1AVDRCYP2C9EPHA2

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-20220396597-A1 NMDAR INHIBITING AGENTS AND GABAAR POTENTIATING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2022-12-15 — — US disclosed
WO-2021080880-A1 NMDAR INHIBITING AGENTS AND GABAAR POTENTIATING AGENTS AND USES THEREOF COVEY DOUGLAS (US) 2021-04-29 — — WO disclosed
US-20130261317-A1 METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME KYTHERA BIOPHARMACEUTICALS, INC. (US) 2013-10-03 — — US disclosed
US-20130261317-A1 METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME KYTHERA BIOPHARMACEUTICALS, INC. (US) 2013-10-03 — — US disclosed
WO-2012047495-A2 METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME KYTHERA BIOPHARMACEUTICALS, INC. (US) 2012-04-12 — — 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-20130261317-A1 METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME HSD17B11, DHCR7, CYP46A1 GPBAR1 50/4885HIF1A 1923/4885VDR 155/4885
US-20220396597-A1 NMDAR INHIBITING AGENTS AND GABAAR POTENTIATING AGENTS AND USES THEREOF GRIN1, GRIN3A, GRIN2A GPBAR1 159/4885HIF1A 2718/4885VDR 257/4885

“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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