SCHEMBL17853291

SCHEMBL17853291

Cn1c2ccccc2c2ccc(/C=C/C(C)(C)C)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
GPR3 P46089 1/20 0.50
MAPT P10636 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PABPC1 P11940 1/20 0.40
TSHR P16473 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL12419784 0.83 GPR3 (0.57) KIF11GPR3MAPTHPGDKDM4E
SCHEMBL17853278 0.83 KIF11 (0.33) KIF11GPR3KDM4EHTTBCHE
SCHEMBL13480892 0.81 GPR3 (0.53) KIF11GPR3MAPTHPGDKDM4E
SCHEMBL11350562 0.80 GPR3 (0.57) KIF11GPR3MAPTHPGDKDM4E
SCHEMBL13451224 0.78 GPR3 (0.53) KIF11GPR3MAPTHPGDKDM4E
SCHEMBL11180624 0.77 GPR3 (0.57) KIF11GPR3MAPTHPGDKDM4E
SCHEMBL12419783 0.77 GPR3 (0.57) KIF11GPR3MAPTHPGDKDM4E
SCHEMBL14366792 0.76 GPR3 (0.61) GPR3MAPTHPGDKDM4EALDH1A1
SCHEMBL2600072 0.75 KDM4E (0.60) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL13480890 0.75 KDM4E (0.50) KIF11GPR3MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181541-A1 P-doped conjugated small molecular electrolyte and organic electronic devices using the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-23 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-20160181541-A1 P-doped conjugated small molecular electrolyte and organic electronic devices using the same EMG1, KCNN2, MRPS22 KIF11 622/4885GPR3 3337/4885MAPT 2347/4885

“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.