SCHEMBL5697315

SCHEMBL5697315

C1=C(N(C2=CCCCCC2)C2=CCCCCC2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KDM1A O60341 1/20 0.33
CXCR3 P49682 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6405722 1.00 ALDH1A1 (0.38) ALDH1A1RAB9AKDM1ACXCR3HDAC4
SCHEMBL516345 0.97 ALDH1A1 (0.39) ALDH1A1RAB9AKDM1AHDAC4HDAC2
SCHEMBL516332 0.88 ALDH1A1 (0.32) ALDH1A1RAB9AHDAC4HDAC2HDAC8
SCHEMBL3478278 0.79 ALDH1A1 (0.40) ALDH1A1RAB9AKDM1ACXCR3HDAC4
SCHEMBL3966810 0.79 ALDH1A1 (0.40) ALDH1A1RAB9AKDM1ACXCR3HDAC4
SCHEMBL15457506 0.79 ALDH1A1 (0.40) ALDH1A1RAB9AKDM1ACXCR3HDAC4
SCHEMBL517221 0.76
SCHEMBL7776734 0.76 ALDH1A1 (0.41) ALDH1A1RAB9AKDM1ACXCR3HDAC4
SCHEMBL31671011 0.75 ALDH1A1 (0.41) ALDH1A1RAB9ACXCR3HDAC4HDAC2
SCHEMBL3965255 0.74 ALDH1A1 (0.44) ALDH1A1RAB9ACXCR3ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 ALDH1A1 1428/4885RAB9A 4353/4885KDM1A 2565/4885

“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.