SCHEMBL20567955

SCHEMBL20567955

Brc1ccc(NCC2CCCCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX1 P07099 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALDH3A1 P30838 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
AGER Q15109 1/20 0.38
AOC1 P19801 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL16823551 0.94 RAB9A (0.50) RAB9AKMT2ANPC1HDAC3HDAC1
SCHEMBL3717751 0.90 RAB9A (0.44) RAB9AKMT2ANPC1HDAC3HDAC1
SCHEMBL23142643 0.84 RAB9A (0.43) RAB9AKMT2ANPC1HDAC3HDAC1
SCHEMBL23142668 0.84 RAB9A (0.43) RAB9AKMT2ANPC1HDAC3HDAC1
SCHEMBL13438637 0.81 PRKCQ (0.42) RAB9AKMT2ANPC1HDAC3HDAC1
SCHEMBL11934751 0.81 PRKCQ (0.42) RAB9AKMT2ANPC1HDAC3HDAC1
SCHEMBL22414312 0.81 RAB9A (0.44) RAB9AKMT2ANPC1SMN1; SMN2EPHX1
SCHEMBL22414314 0.81 NPC1 (0.47) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL21799807 0.81 NFE2L2 (0.46) RAB9AKMT2AMEN1SMN1; SMN2EPHX1
SCHEMBL6884915 0.81 S1PR1 (0.52) RAB9AKMT2ANPC1MEN1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795315-B2 Group 5 metal complexes for producing amine-functionalized polyolefins THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-10-24 US disclosed
US-11795315-B2 Group 5 metal complexes for producing amine-functionalized polyolefins THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-10-24 US disclosed
US-20220363786-A1 GROUP 5 METAL COMPLEXES FOR PRODUCING AMINE-FUNTIONALIZED POLYOLEFINS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-11-17 US disclosed
US-20220363786-A1 GROUP 5 METAL COMPLEXES FOR PRODUCING AMINE-FUNTIONALIZED POLYOLEFINS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-11-17 US disclosed
US-11034707-B2 Group 5 metal complexes for catalytic amine functionalization THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-06-15 US disclosed
US-11034707-B2 Group 5 metal complexes for catalytic amine functionalization THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-06-15 US disclosed
US-20200283459-A1 GROUP 5 METAL COMPLEXES FOR CATALYTIC AMINE FUNCTIONALIZATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-09-10 US disclosed
US-20200283459-A1 GROUP 5 METAL COMPLEXES FOR CATALYTIC AMINE FUNCTIONALIZATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-09-10 US disclosed
WO-2018213938-A1 GROUP 5 METAL COMPLEXES FOR CATALYTIC AMINE FUNCTIONALIZATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-11-29 WO 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 (2 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-20200283459-A1 GROUP 5 METAL COMPLEXES FOR CATALYTIC AMINE FUNCTIONALIZATION ADH5, PRMT5, MAOA RAB9A 1456/4885KMT2A 307/4885NPC1 3200/4885
US-11034707-B2 Group 5 metal complexes for catalytic amine functionalization ADH5, PRMT5, MAOA RAB9A 1456/4885KMT2A 307/4885NPC1 3200/4885

“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.