SCHEMBL18022285

SCHEMBL18022285

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDK2 Q15119 10/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
FPR2 P25090 1/20 0.32
CYP1A2 P05177 1/20 0.32
SLC6A3 Q01959 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL29850689 1.00 MAPK1 (0.41) MAPK1ALDH1A1PDK2NPC1RAB9A
SCHEMBL29992797 1.00 MAPK1 (0.41) MAPK1ALDH1A1PDK2NPC1RAB9A
SCHEMBL12781540 1.00 MAPK1 (0.41) MAPK1ALDH1A1PDK2NPC1RAB9A
SCHEMBL24774 1.00 MAPK1 (0.41) MAPK1ALDH1A1PDK2NPC1RAB9A
SCHEMBL21730813 1.00 MAPK1 (0.41) MAPK1ALDH1A1PDK2NPC1RAB9A
SCHEMBL17700997 0.97 PDK2 (0.39) MAPK1ALDH1A1PDK2FPR2CYP1A2
SCHEMBL29992842 0.97 PDK2 (0.39) MAPK1ALDH1A1PDK2FPR2CYP1A2
SCHEMBL17165575 0.97 PDK2 (0.39) MAPK1ALDH1A1PDK2FPR2CYP1A2
SCHEMBL12781542 0.97 PDK2 (0.37) MAPK1ALDH1A1PDK2FPR2CYP1A2
SCHEMBL12156925 0.97 PDK2 (0.37) MAPK1ALDH1A1PDK2FPR2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929351-B2 Indenotriphenylene-based amine derivative for organic electroluminescent device NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2018-03-27 US disclosed
US-20160240784-A1 INDENOTRIPHENYLENE-BASED AMINE DERIVATIVE FOR ORGANIC ELECTROLUMINESCENT DEVICE NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2016-08-18 US disclosed
US-20160240784-A1 INDENOTRIPHENYLENE-BASED AMINE DERIVATIVE FOR ORGANIC ELECTROLUMINESCENT DEVICE NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2016-08-18 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-20160240784-A1 INDENOTRIPHENYLENE-BASED AMINE DERIVATIVE FOR ORGANIC ELECTROLUMINESCENT DEVICE AHR, MLLT1, AR MAPK1 3919/4885ALDH1A1 861/4885PDK2 2896/4885

“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.