SCHEMBL23613007

SCHEMBL23613007

CCC[C@@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ASAH1 Q13510 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL26504336 0.88 TAS1R3 (0.46) ASAH1TAS1R3TAS1R1CYP1A2CYP3A4
SCHEMBL13246781 0.84 ADH1B (0.47) KMT2AASAH1TAS1R3TAS1R1MEN1
SCHEMBL18287166 0.83 ALDH1A1 (0.41) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL23175981 0.83 RIPK1 (0.42) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL15895098 0.83 RIPK1 (0.42) ALDH1A1POLBHPGDKMT2ANPC1
SCHEMBL23547248 0.83 CNR2 (0.34) ALDH1A1POLBHPGDCNR2L3MBTL1
SCHEMBL19699581 0.82 MMP1 (0.48) ALDH1A1KMT2ARAB9ASMN1; SMN2CNR2
SCHEMBL8114734 0.82 MMP1 (0.48) ALDH1A1KMT2ARAB9ASMN1; SMN2CNR2
SCHEMBL19699582 0.82 MMP1 (0.48) ALDH1A1KMT2ARAB9ASMN1; SMN2CNR2
SCHEMBL23175980 0.82 ALDH1A1 (0.40) ALDH1A1POLBHPGDKMT2ANPC1

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-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 — — 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-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ALDH1A1 3904/4885POLB 2977/4885HPGD 115/4885

“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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