SCHEMBL17829213

SCHEMBL17829213

O=C1CCc2ccccc2/C1=C\c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.60
MIF P14174 5/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.49
CES1 P23141 1/20 0.48
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
AR P10275 1/20 0.47
CYP19A1 P11511 2/20 0.46
PKM P14618 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11194846 0.87 MAOB (0.64) MAOBMIFMAOACES1CYP19A1
SCHEMBL17279666 0.87 ERBB2 (0.48) MAOBMIFMAPTCES1CYP19A1
SCHEMBL5698523 0.82 CA12 (0.48) MAOBMIFMAPTCES1NR3C1
SCHEMBL6142695 0.82 NR3C1 (0.48) MAOBMIFMAPTCES1NR3C1
SCHEMBL6143209 0.82 NR3C1 (0.48) MAOBMIFMAPTCES1NR3C1
SCHEMBL11876812 0.78 CES1 (0.52) MAOBMIFMAPTMAOACES1
SCHEMBL6826664 0.78 MIF (0.70) MAOBMIFMAPTCYP19A1ALDH1A1
SCHEMBL4158887 0.76 MAOB (0.49) MAOBMIFMAPTCES1NR3C1
Benzene SCHEMBL28357254 0.76 MAOB (0.71) MAOBMAOACES1HPGDALDH1A1
SCHEMBL19792775 0.76 MAOB (0.43) MAOBMIFMAPTMAOAHPGD

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 MAOB 2238/4885MIF 1065/4885MAPT 2279/4885

“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.