SCHEMBL10061280

SCHEMBL10061280

COC(=O)CCC[C@@H](C)C1CCC2C3CC(OC)C45CC4CC[C@]5(C)C3CCC21C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ VDR P11473 1/20 0.53
▸ NPC1L1 Q9UHC9 4/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NR1H3 Q13133 1/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ POLA1 P09884 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ TOP2B Q02880 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL12947554 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL10060838 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL11517446 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL11967233 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL15133019 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL12917607 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL970323 0.95 GPBAR1 (0.59) GPBAR1CYP2C9HIF1AVDRUSP2
SCHEMBL24571894 0.92 GPBAR1 (0.45) GPBAR1CYP2C9HIF1AVDRNPC1L1
SCHEMBL967481 0.88 POLA1 (0.58) GPBAR1HIF1AVDRUSP2MEN1
SCHEMBL17656424 0.88 POLA1 (0.58) GPBAR1HIF1AVDRUSP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029958-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS KYTHERA BIOPHARMACEUTICALS, INC. 2013-01-31 — — US disclosed
US-20120302525-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS KYTHERA BIOPHARMACEUTICALS, INC. 2012-11-29 — — US disclosed
US-20120238537-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS KYTHERA BIOPHARMACEUTICALS, INC. 2012-09-20 — — US disclosed
US-8242294-B2 Synthetic bile acid compositions and methods KYTHERA BIOPHARMACEUTICALS, INC. (US) 2012-08-14 — — US disclosed
WO-2012021133-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS KYTHERA BIOPHARMACEUTICALS, INC. (US) 2012-02-16 — — WO disclosed
EP-2407475-A2 Synthetic Bile Acid Composition, Method, and Preparation Kythera Biopharmaceuticals, Inc. (US) 2012-01-18 — — EP disclosed
US-20100160276-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS KYTHERA BIOPHARMACEUTICALS, INC. 2010-06-24 — — US disclosed
US-20080318870-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS KYTHERA BIOPHARMACEUTICALS, INC. 2008-12-25 — — US disclosed
WO-2008157635-A2 SYNTHETIC BILE ACID COMPOSITION, METHOD, AND PREPARATION KYTHERA BIOPHARMACEUTICALS, INC. (US) 2008-12-24 — — 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 (5 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-20120302525-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS NR1H4, CYP27A1, CYP7A1 GPBAR1 6/4885CYP2C9 92/4885HIF1A 4334/4885
US-20120238537-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS NR1H4, CYP27A1, CYP7A1 GPBAR1 6/4885CYP2C9 92/4885HIF1A 4334/4885
US-20100160276-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS NR1H4, CYP27A1, CYP7A1 GPBAR1 6/4885CYP2C9 92/4885HIF1A 4334/4885
US-20080318870-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS NR1H4, CYP27A1, CYP7A1 GPBAR1 6/4885CYP2C9 92/4885HIF1A 4334/4885
US-20130029958-A1 SYNTHETIC BILE ACID COMPOSITIONS AND METHODS NR1H4, CYP27A1, CYP7A1 GPBAR1 6/4885CYP2C9 92/4885HIF1A 4334/4885

“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.

Send feedback