SCHEMBL13301773

SCHEMBL13301773

C[C@@]1(P(c2ccccc2)c2ccccc2)C[C@@H]1P(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL13960894 1.00 KDM1A (0.35) KDM1AMAOAMAOBCYP3A4TDP1
SCHEMBL25947647 0.72 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL4647455 0.71
SCHEMBL10906538 0.65 TRPA1 (0.34) CYP3A4TDP1DRD1
SCHEMBL15657621 0.64 SLC6A2 (0.31)
SCHEMBL12337335 0.64 CYP3A4 (0.41) KDM1AMAOAMAOBCYP3A4TDP1
SCHEMBL13447808 0.63 TRPA1 (0.32) CYP3A4TDP1
SCHEMBL7523506 0.63 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL3680204 0.63 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL7522233 0.63 CYP3A4 (0.39) CYP3A4TDP1

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-20100152448-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2010-06-17 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-20100152448-A1 LIGANDS OF THE BENZO [H] QUINOLINE CLASS AND TRANSITION METAL COMPLEXES CONTAINING THEM AND USE OF SAID COMPLEXES AS CATALYSTS ADH5, KCNQ4, KCNQ5 KDM1A 1764/4885MAOA 350/4885MAOB 191/4885

“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.