SCHEMBL13916480

SCHEMBL13916480

C[C@H](CCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCCCC1C[C@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 11/20 1.00
▸ NR1H4 Q96RI1 6/20 1.00
▸ MEN1 O00255 3/20 0.79
▸ KMT2A Q03164 3/20 0.79
▸ ABCB11 O95342 2/20 0.79
▸ SLC10A2 Q12908 2/20 0.79
▸ LMNA P02545 2/20 0.79
▸ TDP1 Q9NUW8 2/20 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
▸ ENPP2 Q13822 1/20 0.79
▸ SLC10A1 Q14973 1/20 0.79
▸ CISD1 Q9NZ45 1/20 0.79
▸ CYP3A4 P08684 1/20 0.79
▸ AKR1B10 O60218 1/20 0.72
▸ AKR1B1 P15121 1/20 0.72
▸ EFNA1 P20827 1/20 0.72
▸ EPHA2 P29317 1/20 0.72

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
SCHEMBL11063589 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22626977 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL10074118 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22627010 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24404377 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24437428 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23483146 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24897216 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23483076 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL21710850 1.00 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062526-A1 NOVEL METHOD OF SYNTHESIZING ALKYLATED BILE ACID DERIVATIVES CITY OF HOPE 2009-03-05 — — 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 (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-20090062526-A1 NOVEL METHOD OF SYNTHESIZING ALKYLATED BILE ACID DERIVATIVES NR1H4, GPBAR1, CYP7A1 GPBAR1 2/4885NR1H4 1/4885MEN1 4045/4885

“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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