SCHEMBL2543370

SCHEMBL2543370

O=C1C=CC(=O)C2C3C=CC(CCC3)C12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL2545104 0.90 POLB (0.42) POLBTDP1ALDH1A1L3MBTL1APEX1
SCHEMBL6125172 0.79 ALDH1A1 (0.50) POLBTDP1ALDH1A1L3MBTL1RECQL
SCHEMBL2386798 0.79 ALDH1A1 (0.50) POLBTDP1ALDH1A1L3MBTL1RECQL
SCHEMBL14338369 0.79 ALDH1A1 (0.50) POLBTDP1ALDH1A1L3MBTL1RECQL
SCHEMBL6127457 0.73 TDP1 (0.44) POLBTDP1ALDH1A1L3MBTL1APEX1
SCHEMBL3199039 0.73 TDP1 (0.44) POLBTDP1ALDH1A1L3MBTL1APEX1
SCHEMBL18723992 0.73 TDP1 (0.44) POLBTDP1ALDH1A1L3MBTL1APEX1
SCHEMBL16199087 0.73 TDP1 (0.44) POLBTDP1ALDH1A1L3MBTL1APEX1
SCHEMBL9528093 0.73 POLB (0.34) POLBTDP1ALDH1A1L3MBTL1APEX1
SCHEMBL3199047 0.73 TDP1 (0.44) POLBTDP1ALDH1A1L3MBTL1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US disclosed
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 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-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1E, CACNA1B, CACNB1 POLB 3291/4885TDP1 2859/4885ALDH1A1 1000/4885

“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.