SCHEMBL14359685

SCHEMBL14359685

COC(=O)CCC(C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 1.00
▸ NR1H4 Q96RI1 5/20 0.79
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ CYP3A4 P08684 3/20 0.79
▸ ABCB11 O95342 3/20 0.79
▸ SLC10A2 Q12908 2/20 0.79
▸ ENPP2 Q13822 2/20 0.79
▸ LMNA P02545 1/20 0.79
▸ CYP2C19 P33261 1/20 0.79
▸ CHRM2 P08172 1/20 0.79
▸ ADRA2A P08913 1/20 0.79
▸ ADRA1A P35348 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ SLC10A1 Q14973 1/20 0.79
▸ CISD1 Q9NZ45 1/20 0.79
▸ SLCO1B3 Q9NPD5 1/20 0.79
▸ SLCO1B1 Q9Y6L6 1/20 0.79
▸ USP2 O75604 1/20 0.79
▸ CYP2C9 P11712 1/20 0.76

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
SCHEMBL22079590 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL22062319 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL22152087 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL24170380 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL22079190 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL24999603 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL21283696 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL23424218 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL22079612 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4
SCHEMBL16888698 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072630-B2 Fluorinated and alkylated bile acids METSELEX, INC. (US) 2021-07-27 — — US disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 — — US disclosed
US-20070060610-A1 Methods and pharmaceutical formulations for increasing bioavailability EASTMAN CHEMICAL COMPANY 2007-03-15 — — 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 (3 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 GPBAR1 1964/4885NR1H4 32/4885MEN1 4281/4885
US-11072630-B2 Fluorinated and alkylated bile acids NR1H4, SLC10A1, SLC10A2 GPBAR1 4/4885NR1H4 1/4885MEN1 1571/4885
US-20070060610-A1 Methods and pharmaceutical formulations for increasing bioavailability ABCG2, SLC10A2, SLCO1B1 GPBAR1 194/4885NR1H4 301/4885MEN1 1168/4885

“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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