SCHEMBL22482014

SCHEMBL22482014

C=CCc1cccc2c1[nH]c1c(CC=C)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
PIM1 P11309 2/20 0.41
PIM3 Q86V86 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
AKR1B1 P15121 1/20 0.37
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL241852 0.87 KIF11 (0.49) GABRA1GABRB2PIM1PIM3LMNA
SCHEMBL29376743 0.87 KIF11 (0.49) GABRA1GABRB2PIM1PIM3LMNA
Ammonia Solution, Strong SCHEMBL28918843 0.86 KIF11 (0.47) GABRA1GABRB2PIM1PIM3LMNA
SCHEMBL28876207 0.86 KIF11 (0.47) GABRA1GABRB2PIM1PIM3LMNA
SCHEMBL7033769 0.81 GAA (0.42) GABRA1GABRB2PIM1PIM3LMNA
SCHEMBL31619949 0.80 GABRA1 (0.56) GABRA1GABRB2PIM1LMNAMAPT
SCHEMBL5831594 0.80 GABRA1 (0.56) GABRA1GABRB2PIM1LMNAMAPT
SCHEMBL22482060 0.79 PIM1 (0.47) PIM1PIM3LMNAHTTALDH1A1
SCHEMBL28398379 0.78 TDO2 (0.43) GABRA1GABRB2LMNAMAPTMAPK1
SCHEMBL7291871 0.73 CCR8 (0.48) GABRA1GABRB2PIM1LMNAMAPT

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-20200308196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2020-10-01 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-20200308196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, EML4 GABRA1 4715/4885GABRB2 4539/4885PIM1 1364/4885

“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.