SCHEMBL16769381

SCHEMBL16769381

CCCCCCc1cc(CCCCCC)cc(-c2nc(-c3ncc(C)c(C)n3)nc(-c3ncc(C)c(C)n3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RARB P10826 3/20 0.39
PTGS2 P35354 3/20 0.37
CYP3A4 P08684 1/20 0.35
GPR84 Q9NQS5 2/20 0.35
NPC1 O15118 2/20 0.35
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
CNR2 P34972 1/20 0.34
NFKB1 P19838 1/20 0.33

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
SCHEMBL16769385 0.86 MAPT (0.58) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL16769405 0.85 RAB9A (0.44) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL16769419 0.82 RAB9A (0.40) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL16769392 0.81 RAB9A (0.40) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL18216907 0.79 PTGS2 (0.46) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL16921367 0.78 RAB9A (0.39) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL22275552 0.77 RAB9A (0.60) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL16769388 0.76 RARB (0.42) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL16769409 0.76 RARB (0.44) RAB9ASMN1; SMN2MAPTKDM4EMEN1
SCHEMBL15281180 0.76 RAB9A (0.47) RAB9ASMN1; SMN2MAPTKDM4EMEN1

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-9905767-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-27 US disclosed
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-04 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 (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-20150155495-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, CCNL2, CRKL RAB9A 825/4885SMN1; SMN2 3233/4885MAPT 2720/4885
US-20150207077-A1 HIGH-MOLECULAR COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME ARL1, GRK1, GNA11 RAB9A 1031/4885SMN1; SMN2 2660/4885MAPT 3221/4885

“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.