SCHEMBL12791990

SCHEMBL12791990

CC1=[N+](CCC(=O)O)c2ccc(C)cc2C1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 2/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
CCR2 P41597 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AKR1B1 P15121 1/20 0.33
KMO O15229 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2614442 0.92 KMT2A (0.56) KMT2AMEN1MAPTHTTLMNA
SCHEMBL28562582 0.91 KMT2A (0.55) KMT2AMEN1MAPTHTTLMNA
SCHEMBL1105636 0.91 KMT2A (0.55) KMT2AMEN1MAPTHTTLMNA
SCHEMBL31681271 0.83 LMNA (0.43) KMT2AMEN1MAPTHTTLMNA
SCHEMBL12893718 0.83 MAPT (0.67) KMT2AMEN1MAPTHTTLMNA
SCHEMBL14468051 0.82 MEN1 (0.42) KMT2AMEN1MAPTHTTLMNA
Iodide SCHEMBL31142506 0.82 HTT (0.45) KMT2AMEN1MAPTHTTLMNA
SCHEMBL12597207 0.82 CYP2D6 (0.42) KMT2AMEN1MAPTHTTLMNA
SCHEMBL14221833 0.81 MEN1 (0.69) KMT2AMEN1MAPTHTTLMNA
SCHEMBL2614412 0.81 MEN1 (0.73) KMT2AMEN1MAPTHTTLMNA

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-20160329161-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2016-11-10 US disclosed
US-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 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-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT MSR1, IK, RXFP1 KMT2A 4027/4885MEN1 96/4885MAPT 3244/4885

“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.