SCHEMBL25545688

SCHEMBL25545688

CCCCOC(=O)COC1CC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ESR1 P03372 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL8714112 0.79 SMYD3 (0.40) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL8714110 0.79 SMYD3 (0.40) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL21384182 0.79 NAAA (0.40) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL21384249 0.79 NAAA (0.42) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL5604986 0.79 NAAA (0.49) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL31722366 0.79 NAAA (0.42) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL7748021 0.79 NPC1 (0.37) ALDH1A1TDP1L3MBTL1TSHRLMNA
SCHEMBL21384301 0.77 NAAA (0.41) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL21384262 0.75 ATM (0.40) NAAAALDH1A1TDP1L3MBTL1TSHR
SCHEMBL9913621 0.74 ALDH1A1 (0.45) NAAAALDH1A1L3MBTL1MEN1KMT2A

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-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 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-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 NAAA 1348/4885ALDH1A1 267/4885TDP1 642/4885

“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.