SCHEMBL14983107

SCHEMBL14983107

CCC[C@@H](C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.77
▸ SLC10A2 Q12908 2/20 0.77
▸ NR1H4 Q96RI1 2/20 0.77
▸ TBXA2R P21731 1/20 0.77
▸ PDE3A Q14432 1/20 0.77
▸ MAPT P10636 3/20 0.73
▸ MAPK1 P28482 3/20 0.73
▸ USP2 O75604 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ ABCC4 O15439 1/20 0.64
▸ CA1 P00915 4/20 0.59
▸ CA2 P00918 4/20 0.59
▸ CASP7 P55210 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ BLM P54132 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ MDM4 O15151 1/20 0.58

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
SCHEMBL14983114 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL16509991 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL14125341 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL12382033 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL12244776 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL13760061 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL6138908 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL13908432 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL18993218 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A
SCHEMBL13587976 1.00 GPBAR1 (0.77) GPBAR1SLC10A2NR1H4TBXA2RPDE3A

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-10005813-B2 Methods for the purification of deoxycholic acid KYTHERA BIOPHARMACEUTICALS, INC. (US) 2018-06-26 — — US disclosed
US-20170320905-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS, INC. (US) 2017-11-09 — — US disclosed
US-9683007-B2 Methods for the purification of deoxycholic acid KYTHERA BIOPHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
US-20150141679-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS, INC. (US) 2015-05-21 — — US disclosed
US-20130137884-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID Kythera Biopharmaceuticals ,Inc. 2013-05-30 — — 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 (4 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-20150141679-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD11B2 GPBAR1 116/4885SLC10A2 112/4885NR1H4 36/4885
US-20130137884-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 GPBAR1 98/4885SLC10A2 118/4885NR1H4 37/4885
US-10005813-B2 Methods for the purification of deoxycholic acid HSD11B1, HSD17B7, HSD17B13 GPBAR1 110/4885SLC10A2 138/4885NR1H4 38/4885
US-20170320905-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 GPBAR1 110/4885SLC10A2 138/4885NR1H4 38/4885

“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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