SCHEMBL10035345

SCHEMBL10035345

CCCCc1ccc(-c2nnc(-c3ccc(CCCC)cc3)n2-c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.56
UCHL3 P15374 2/20 0.55
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2A6 P11509 1/20 0.44
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL10035324 0.98 HSD11B1 (0.60) HSD11B1UCHL3CYP3A4CYP2C9CYP2C19
SCHEMBL10035337 0.98 HSD11B1 (0.60) HSD11B1UCHL3CYP3A4CYP2C9CYP2C19
SCHEMBL10035356 0.92 MKNK1 (0.50) HSD11B1UCHL3CYP3A4CYP2C9CYP2C19
SCHEMBL10035336 0.90 HSD11B1 (0.49) HSD11B1UCHL3CYP3A4CYP2C9CYP2C19
SCHEMBL10035323 0.90 HSD11B1 (0.49) HSD11B1UCHL3CYP3A4CYP2C9CYP2C19
SCHEMBL10035328 0.87 MKNK1 (0.53) CYP3A4CYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL12435674 0.85 CYP3A4 (0.64) HSD11B1CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL10035348 0.85 MKNK1 (0.50) CYP3A4CYP19A1MKNK1MKNK2KDM4E
SCHEMBL10035320 0.85 MKNK1 (0.50) CYP3A4CYP19A1MKNK1MKNK2KDM4E
SCHEMBL195220 0.84 HSD11B1 (0.73) HSD11B1UCHL3KDM4EALDH1A1

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-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101771-B2 Triazole derivative, and light-emitting element, light-emitting device, and electronic device using triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 US disclosed
US-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-04-01 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-20100079066-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Triazole Derivative TTI1, TTI2, NLRP3 HSD11B1 1244/4885UCHL3 4747/4885CYP3A4 22/4885

“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.