SCHEMBL18174589

SCHEMBL18174589

Cc1cccnc1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ncccc4C)cc3)c3cc(-c4ccc5ccccc5c4)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CCR1 P32246 2/20 0.37
CCR8 P51685 2/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
TRPV1 Q8NER1 5/20 0.36
CCR5 P51681 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDK1 Q15118 1/20 0.35

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
SCHEMBL15977639 0.96 ABL1 (0.42) ABL1HTR2BHTR5ACYP2A6CYP17A1
SCHEMBL15977648 0.93 HTR2B (0.44) ABL1HTR2BHTR5ACYP2A6CYP17A1
SCHEMBL10032745 0.92 HTR2B (0.45) ABL1HTR2BHTR5ACYP2A6CYP17A1
SCHEMBL18431630 0.89 HTR2B (0.38) ABL1HTR2BHTR5ACYP2A6CYP17A1
SCHEMBL10032686 0.88 CYP2A6 (0.44) ABL1HTR2BHTR5ACYP2A6CYP17A1
SCHEMBL15160986 0.88 CYP2A6 (0.46) HTR2BHTR5ACYP2A6TRPV1PDK1
SCHEMBL15977631 0.88 CYP2A6 (0.46) HTR2BHTR5ACYP2A6TRPV1PDK1
SCHEMBL10032755 0.87 ABL1 (0.46) ABL1HTR2BHTR5ACYP2A6CYP17A1
SCHEMBL18174641 0.85 CYP2A6 (0.44) HTR2BHTR5ACYP2A6TRPV1PDK1
SCHEMBL18174610 0.85 CYP2A6 (0.44) HTR2BHTR5ACYP2A6TRPV1PDK1

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-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 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-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs HDAC5, HDAC1, HDAC3 ABL1 1428/4885HTR2B 3955/4885HTR5A 3319/4885

“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.