SCHEMBL5953824

SCHEMBL5953824

Cn1c[c]cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.42
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
HPGD P15428 1/20 0.35
LDLR P01130 1/20 0.35
BRD4 O60885 2/20 0.34
HPGDS O60760 1/20 0.34

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
SCHEMBL2753252 0.71 BRD9 (0.33) BRD9
SCHEMBL2751459 0.70 METAP2 (0.33)
SCHEMBL2750412 0.70 AR (0.36) CYP1A2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL2752728 0.70 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2
SCHEMBL2752751 0.70
SCHEMBL2750000 0.68
SCHEMBL2752335 0.68 ADRA2A (0.35) CYP1A2CYP2D6
SCHEMBL10480724 0.68 PCSK9 (0.47) PCSK9KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL822673 0.67 PCSK9 (0.68) PCSK9KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL6444709 0.67 PCSK9 (0.73) PCSK9KMT2ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004218-A1 Binuclear transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2006-01-05 US disclosed
US-20050282982-A1 Amido complexes of vanadium for olefin polymerization LANXESS DEUTSCHLAND GMBH (DE) 2005-12-22 US disclosed
EP-1284270-B1 Vanadium-Imido-Phosphoraniminato complexes for olefin polymerisation BAYER AG (DE) 2005-06-29 EP disclosed
US-6846769-B2 Vanadium-imido-phosphoraneiminato complexes for the polymerization of olefins BAYER AKTIENGESELLSCHAFT (DE) 2005-01-25 US disclosed
US-20030114675-A1 Vanadium-imido-phosphoraneiminato complexes for the polymerization of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-06-19 US disclosed
EP-1284270-A1 Vanadium-Imido-Phosphoraniminato complexes for olefin polymerisation BAYER AG (DE) 2003-02-19 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 (3 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-20030114675-A1 Vanadium-imido-phosphoraneiminato complexes for the polymerization of olefins MVD, PPIP5K2, PI4KA PCSK9 4823/4885KMT2A 3368/4885CYP1A2 3133/4885
US-20050282982-A1 Amido complexes of vanadium for olefin polymerization NOX4, NOXO1, COG4 PCSK9 2525/4885KMT2A 3469/4885CYP1A2 1073/4885
US-20060004218-A1 Binuclear transition metal complexes PICALM, PCBP1, AP1M1 PCSK9 4386/4885KMT2A 2716/4885CYP1A2 2691/4885

“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.