SCHEMBL26466017

SCHEMBL26466017

C=CC[C@]1(CCCBr)C(OCc2ccc(OC)cc2)CC[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 1/20 0.32
APP P05067 2/20 0.31
REN P00797 2/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL26466014 0.89 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL26466005 0.83 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL26099388 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL26097750 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6926870 0.64 NPC1 (0.37) ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL6512199 0.62 L3MBTL1 (0.59) APPIDO1AGXT
SCHEMBL4728877 0.61 L3MBTL1 (0.62) SMN1; SMN2APPIDO1AGXT
SCHEMBL16727734 0.60 L3MBTL1 (0.65) SMN1; SMN2APPIDO1AGXT
SCHEMBL1355360 0.60 L3MBTL1 (0.65) SMN1; SMN2APPIDO1AGXT
SCHEMBL27089918 0.60 L3MBTL1 (0.65) SMN1; SMN2APPIDO1AGXT

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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-05-04 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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 ALDH1A1 383/4885TP53 4159/4885CYP3A4 1543/4885

“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.