SCHEMBL20012376

SCHEMBL20012376

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

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 0.76
▸ NR1H4 Q96RI1 4/20 0.76
▸ SLC10A2 Q12908 2/20 0.76
▸ TBXA2R P21731 1/20 0.76
▸ PDE3A Q14432 1/20 0.76
▸ MAPT P10636 2/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ USP2 O75604 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ ABCC4 O15439 1/20 0.61
▸ TP53 P04637 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ TDP1 Q9NUW8 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
SCHEMBL20008825 1.00 GPBAR1 (0.76) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL19705468 1.00 GPBAR1 (0.76) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL20012515 1.00 GPBAR1 (0.76) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL20008829 0.93 GPBAR1 (0.77) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL24212436 0.93 GPBAR1 (0.77) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL29580943 0.92 GPBAR1 (0.74) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL20008826 0.90 MAPT (0.73) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL19705475 0.89 GPBAR1 (0.67) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL20012396 0.89 GPBAR1 (0.67) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
SCHEMBL1656466 0.88 GPBAR1 (0.81) GPBAR1NR1H4SLC10A2TBXA2RPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117925-B2 Methods for the preparation of deoxycholic acid, and intermediates useful in the preparation of deoxycholic acid BIONICE, S.L.U. (ES) 2021-09-14 — — US disclosed
US-20180086786-A1 PREPARATION OF DEOXYCHOLIC ACID CRYSTAL PHARMA S.A.U. (ES) 2018-03-29 — — 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 (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-20180086786-A1 PREPARATION OF DEOXYCHOLIC ACID SLC10A1, DHCR7, NR1H4 GPBAR1 11/4885NR1H4 3/4885SLC10A2 5/4885
US-11117925-B2 Methods for the preparation of deoxycholic acid, and intermediates useful in the preparation of deoxycholic acid DHCR7, CYP46A1, CYP27A1 GPBAR1 107/4885NR1H4 32/4885SLC10A2 36/4885

“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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