SCHEMBL6319062

SCHEMBL6319062

COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.57
ABCB1 P08183 2/20 0.57
BCR P11274 2/20 0.57
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
APP P05067 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL28805236 0.94 ABL1 (0.56) ABL1ABCB1BCRMAPTNPC1
SCHEMBL28521639 0.94 ABL1 (0.56) ABL1ABCB1BCRMAPTNPC1
SCHEMBL3491387 0.90 ABL1 (0.52) ABL1ABCB1BCRMAPTNPC1
SCHEMBL27938882 0.88 ABL1 (0.50) ABL1ABCB1BCRMAPTNPC1
Propanol SCHEMBL27573292 0.85 BACE1 (0.50) ABL1ABCB1BCRMAPTNPC1
SCHEMBL28714568 0.83 BACE1 (0.56) ABL1ABCB1BCRMAPTNPC1
SCHEMBL29012812 0.82 ALDH1A1 (0.49) ABL1ABCB1BCRMAPTNPC1
SCHEMBL7689092 0.82 POLB (0.49) ABL1ABCB1BCRMAPTNPC1
SCHEMBL12715050 0.81 ABL1 (0.79) ABL1ABCB1BCRMAPTNPC1
SCHEMBL27043229 0.81 TDP1 (0.67) ABL1ABCB1BCRMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916893-B2 Polymerization-active transition metal complexes having bulky ligand systems SER. V. GMBH (DE) 2005-07-12 US disclosed
US-20040171774-A1 Polymerization-active transition metal complexes having bulky ligand systems RIEGER BERNHARD (DE) 2004-09-02 US disclosed
EP-1242434-B1 POLYMERIZATION-ACTIVE TRANSITION METAL COMPLEX COMPOUNDS COMPRISING A STERICALLY DEMANDING LIGAND SYSTEM SER V GMBH (DE) 2004-06-02 EP disclosed
EP-1398330-A2 Transition metal complexes having a bulky ligand system used in polymerisation Ser.V. GmbH (DE) 2004-03-17 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-20040171774-A1 Polymerization-active transition metal complexes having bulky ligand systems AP1M1, CCNC, CLTB ABL1 509/4885ABCB1 3362/4885BCR 1021/4885

“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.