SCHEMBL18848976

SCHEMBL18848976

CC[C@@H]1C2C[C@H](OC(C)=O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@H]3[C@H](C)CC=C(c3ccccc3)c3ccccc3)C2[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.57

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
SCHEMBL21163755 1.00 NR1H4 (0.57) NR1H4
SCHEMBL21163766 1.00 NR1H4 (0.57) NR1H4
SCHEMBL22837114 1.00 NR1H4 (0.57) NR1H4
SCHEMBL18850503 1.00 NR1H4 (0.57) NR1H4
SCHEMBL18850504 1.00 NR1H4 (0.57) NR1H4
SCHEMBL15700227 1.00 NR1H4 (0.57) NR1H4
SCHEMBL18850601 0.94 NR1H4 (0.57) NR1H4
SCHEMBL19413534 0.92 NR1H4 (0.48) NR1H4
SCHEMBL15700219 0.92 NR1H4 (0.48) NR1H4
SCHEMBL18329761 0.87 NR1H4 (0.68) NR1H4

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-10604545-B2 Methods for the preparation of obeticholic acid and derivatives thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2020-03-31 US disclosed
WO-2017079062-A1 METHODS FOR THE PREPARATION OF OBETICHOLIC ACID AND DERIVATIVES THEREOF INTERCEPT PHARMACEUTICALS, INC. (US) 2017-05-11 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 (1 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-10604545-B2 Methods for the preparation of obeticholic acid and derivatives thereof SLC10A1, SLC10A2, TBCA NR1H4 6/4885

“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.