SCHEMBL12201784

SCHEMBL12201784

OBOc1ccc2ccc(Br)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
NCEH1 Q6PIU2 1/20 0.45
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM1A O60341 1/20 0.37
THRB P10828 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
SCHEMBL16506108 0.79 CYP2A6 (0.50) CYP2A6NCEH1LMNAL3MBTL1MEN1
SCHEMBL3437809 0.79 CYP1A2 (0.52) CYP2A6L3MBTL1MEN1KMT2AMAPT
SCHEMBL25899334 0.78 CYP1A2 (0.45) CYP2A6L3MBTL1MEN1KMT2AMAPT
SCHEMBL819491 0.77 CYP2A6 (0.42) CYP2A6LMNAMEN1KMT2AMAPT
SCHEMBL3138744 0.74 CYP2A6 (0.61) CYP2A6NCEH1LMNAL3MBTL1MEN1
SCHEMBL19844990 0.74 CYP1A2 (0.48) MEN1KMT2AMAPTNPC1ATM
SCHEMBL8402770 0.74 CYP1A2 (0.56) CYP2A6LMNAMEN1KMT2AMAPT
SCHEMBL15342415 0.74 MAOB (0.46) LMNAL3MBTL1KMT2AMAPTKDM4E
SCHEMBL29371678 0.73 CYP2A6 (0.72) CYP2A6MEN1KMT2AMAPTKDM4E
SCHEMBL2051640 0.73 CYP2A6 (0.72) CYP2A6MEN1KMT2AMAPTKDM4E

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-9056883-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-16 US disclosed
US-20110245495-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-10-06 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-20110245495-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device HSF1, L1CAM, ELP1 CYP2A6 2768/4885NCEH1 2340/4885LMNA 4085/4885

“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.