SCHEMBL18502189

SCHEMBL18502189

CC(CCC(=O)NCCCCN)C1CC[C@H]2[C@@H]3C(CC(O)C12C)C1(C)CC[C@@H](O)C[C@@H]1C[C@@H]3O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.79
▸ SLC10A2 Q12908 1/20 0.79
▸ SLC10A1 Q14973 1/20 0.79
▸ ABCB11 O95342 1/20 0.76
▸ KMT2A Q03164 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ TSHR P16473 1/20 0.75
▸ RAB9A P51151 1/20 0.75
▸ BLM P54132 1/20 0.75
▸ CYP3A4 P08684 3/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ NR1H4 Q96RI1 1/20 0.71
▸ MEN1 O00255 1/20 0.70
▸ SLCO1B3 Q9NPD5 1/20 0.70
▸ SLCO1B1 Q9Y6L6 1/20 0.70
▸ USP2 O75604 1/20 0.70
▸ CA1 P00915 2/20 0.69
▸ CA2 P00918 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69

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
SCHEMBL23845910 1.00 GPBAR1 (0.79) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL18502187 1.00 GPBAR1 (0.79) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL17789408 1.00 GPBAR1 (0.79) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL19577212 0.97 GPBAR1 (0.78) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL29350826 0.95 GPBAR1 (0.75) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL1653681 0.94 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL23312339 0.94 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL8207308 0.94 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL23312348 0.94 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL20375456 0.94 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A

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-20170042923-A1 REDUCED TOXICITY MOLECULAR CONJUGATES OF ANTI-FUNGAL AGENTS LEHIGH UNIVERSITY 2017-02-16 — — US disclosed
US-20170042923-A1 REDUCED TOXICITY MOLECULAR CONJUGATES OF ANTI-FUNGAL AGENTS LEHIGH UNIVERSITY 2017-02-16 — — 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-20170042923-A1 REDUCED TOXICITY MOLECULAR CONJUGATES OF ANTI-FUNGAL AGENTS ANTXR2, FABP7, ERG28 GPBAR1 3508/4885SLC10A2 3783/4885SLC10A1 2128/4885

“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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