SCHEMBL13766657

SCHEMBL13766657

Cc1ccc2c(c1-c1c(O)ccc3c1CCCC3)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
CES1 P23141 6/20 0.45
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
DRD4 P21917 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PARP1 P09874 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
SCHEMBL1284960 0.89 BCL2L1 (0.58) BCL2L1BADCES1ACACBACACA
SCHEMBL20112700 0.89 CES1 (0.52) BCL2L1BADCES1MEN1KMT2A
SCHEMBL16239399 0.85 BCL2L1 (0.52) BCL2L1BADCES1MAOAMAOB
SCHEMBL15203248 0.80 BCL2L1 (0.48) BCL2L1BADCES1ACACBACACA
SCHEMBL16646844 0.79 BCL2L1 (0.52) BCL2L1BADCES1MAOAMEN1
SCHEMBL31187234 0.78 ALDH1A1 (0.46) BCL2L1BADCES1ACACBACACA
SCHEMBL16527208 0.78 BCL2L1 (0.50) BCL2L1BADCES1MAOAMEN1
SCHEMBL31280589 0.77 BCL2L1 (0.50) BCL2L1BADCES1ACACBACACA
SCHEMBL20040537 0.77 MEN1 (0.46) BCL2L1BADCES1ACACBACACA
SCHEMBL1660189 0.77 BCL2L1 (0.48) BCL2L1BADCES1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025839-A1 METHOD OF SYNTHESIS UNIVERSITY OF DURHAM (GB) 2024-01-25 US disclosed
EP-1885732-B1 CHIRAL DIPHOSPHONITES AS LIGANDS IN THE RUTHENIUM-CATALYSED ENANTIOSELECTIVE REDUCTION OF KETONES ß-KETO-ESTERS AND KETIMINES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-07-22 EP 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-20240025839-A1 METHOD OF SYNTHESIS NIT2, NAA15, ASNS BCL2L1 4857/4885BAD 3999/4885CES1 960/4885

“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.