SCHEMBL25541307

SCHEMBL25541307

Cc1ccc(C2(C)CO2)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PRMT6 Q96LA8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
DAO P14920 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL16024116 0.78 HCAR3 (0.36) HCAR3HCAR2PRMT6ALDH1A1LMNA
SCHEMBL6562789 0.68 PRMT6 (0.33) HCAR3HCAR2PRMT6
SCHEMBL19507038 0.67 HCAR3 (0.37) HCAR3HCAR2PRMT6ALDH1A1LMNA
SCHEMBL23878712 0.64 HCAR3 (0.35) HCAR3HCAR2ALDH1A1KMT2ADAO
SCHEMBL8780853 0.63 MAPT (0.48) PRMT6ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL64283 0.63
SCHEMBL1499439 0.63 CHRNB2 (0.35) ALDH1A1
SCHEMBL18099199 0.60 DAO (0.42) ALDH1A1KMT2ADAONPC1RAB9A
SCHEMBL5460348 0.60 DRD2 (0.42) HCAR3HCAR2DAO
Hydrogen Sulfide SCHEMBL5894730 0.60

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 HCAR3 3102/4885HCAR2 2781/4885PRMT6 2813/4885

“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.