SCHEMBL3852918

SCHEMBL3852918

CC(N)c1ccc2cccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGS2 P35354 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
DPP4 P27487 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1254511 0.93 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL26307961 0.93 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
Boric Acid SCHEMBL28704756 0.86 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL10720270 0.83 CA12 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL1576728 0.82 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL9488102 0.82 CA12 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL9200159 0.82 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL9196934 0.82 CA12 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL3854616 0.78 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL2714073 0.78 ADRA2A (0.53) CA12CA1CA2CA9ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20060069098-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2006-03-30 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-20060069098-A1 Bicyclic compound CRH, NR3C2, CRHR1 CA12 582/4885CA1 123/4885CA2 79/4885

“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.