SCHEMBL19741332

SCHEMBL19741332

Clc1ccc(-c2ccccc2-c2cncnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PTGS2 P35354 3/20 0.47
PTGS1 P23219 1/20 0.47
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 6/20 0.44
PDK2 Q15119 1/20 0.43
MAP4K4 O95819 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL27879614 0.82 ATM (0.68) PTGS2ATMCYP1A2PDK2ALOX5AP
SCHEMBL9862848 0.82 CYP1A2 (0.63) PTGS2PTGS1CYP1A2MAP4K4MEN1
SCHEMBL4694014 0.80 ATM (0.56) CNR1CNR2ATMCYP1A2CYP19A1
SCHEMBL31491188 0.79 CYP1A2 (0.60) PTGS2PTGS1CYP1A2MAP4K4MEN1
SCHEMBL18045052 0.79 CYP1A2 (0.68) PTGS2PTGS1CYP1A2PDK2MAP4K4
SCHEMBL11151194 0.79 CYP1A2 (0.60) PTGS2PTGS1CYP1A2MAP4K4MEN1
SCHEMBL28209270 0.79 ATM (0.46) PTGS2ATMPDK2NPC1RAB9A
SCHEMBL27764876 0.79 ATM (0.46) CNR1CNR2ATMCYP1A2PDK2
SCHEMBL2009521 0.78 CYP2A6 (0.56) CNR1CNR2ATMCYP1A2PDK2
SCHEMBL29926517 0.77 CYP1A2 (0.74) PTGS2PTGS1CYP1A2MAP4K4

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-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-28 US disclosed
US-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-28 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-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device B4GALT1, CCNT1, CYP1A1 CNR1 1006/4885CNR2 1278/4885PTGS2 1712/4885

“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.