SCHEMBL1709109

SCHEMBL1709109

CCCCC(=O)Oc1ccc2cccnc2c1-c1c(OC(=O)CCCC)ccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
HSP90AA1 P07900 5/20 0.51
KDM4E B2RXH2 5/20 0.51
NPC1 O15118 3/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
PAX8 Q06710 2/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
POLM Q9NP87 1/20 0.43
POLK Q9UBT6 1/20 0.43

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
SCHEMBL1121857 0.82 LMNA (0.55) HSP90AA1KDM4EKMT2AMEN1RECQL
SCHEMBL10752030 0.82 LMNA (0.55) HSP90AA1KDM4EKMT2AMEN1RECQL
SCHEMBL8822078 0.82 LMNA (0.55) HSP90AA1KDM4EKMT2AMEN1RECQL
SCHEMBL10751742 0.78 LMNA (0.60) RAB9AHSP90AA1KDM4EMAPK1TDP1
SCHEMBL16236476 0.78 KMT2A (0.55) RAB9AKDM4ENPC1TDP1KMT2A
Isopropyl Myristate SCHEMBL27674010 0.75 LMNA (0.59) RAB9AHSP90AA1KDM4ENPC1MAPK1
SCHEMBL1699754 0.75 KDM4E (0.59) KDM4EL3MBTL1LMNAGAA
SCHEMBL10828205 0.75 POLM (0.56) L3MBTL1LMNASMN1; SMN2GAAPOLM
Hydrochloric Acid SCHEMBL16236349 0.74 KMT2A (0.48) KDM4ETDP1KMT2AMEN1RECQL
SCHEMBL4457246 0.74 LMNA (0.66) RAB9AHSP90AA1KDM4ENPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691992-B2 Octahydro biquinoline compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-04-08 US disclosed
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 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-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 RAB9A 2786/4885HSP90AA1 4834/4885KDM4E 681/4885

“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.