SCHEMBL21933124

SCHEMBL21933124

CCC1C(O)N(c2cc(C(C)(C)C)on2)C(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 1/20 0.41
EGFR P00533 2/20 0.34
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.34
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20024257 0.90 ALOX15 (0.41) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL17374562 0.87 ALOX15 (0.41) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL17374357 0.87 ALOX15 (0.41) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL11304005 0.86 ALOX15 (0.40) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL11014819 0.85 HTR7 (0.46) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL11293721 0.83 HTR7 (0.45) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL18137036 0.83 HTR7 (0.45) ALOX15MEN1KMT2AHTR7ALDH1A1
Acetone SCHEMBL11166049 0.82 ALOX15 (0.47) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL18131958 0.82 ALOX15 (0.41) ALOX15MEN1KMT2AHTR7ALDH1A1
SCHEMBL18131956 0.82 ALOX15 (0.41) ALOX15MEN1KMT2AHTR7ALDH1A1

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-20200146289-A1 Herbicidal pyrimidine compounds BASF SE (DE) 2020-05-14 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-20200146289-A1 Herbicidal pyrimidine compounds DPYD, DHFR, TYMP ALOX15 1846/4885MEN1 4844/4885KMT2A 2194/4885

“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.