SCHEMBL17735017

SCHEMBL17735017

Cc1cc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3c(C)cccc3-c3ccc4ccccc4c3)c(C)c2)ccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1c(C)cccc1-c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MET P08581 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
PPARG P37231 7/20 0.34
PPARA Q07869 7/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34
PIM1 P11309 1/20 0.34
MCL1 Q07820 1/20 0.33

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
SCHEMBL17734960 0.92 CA12 (0.43) CA12CA1CA2CA9ENPP3
SCHEMBL17735014 0.92 CTSD (0.37) CA12CA1CA2CA9MET
SCHEMBL17735030 0.91 ALDH1A1 (0.35) CA12CA1CA2CA9MET
SCHEMBL17734843 0.91 CA12 (0.41) CA12CA1CA2CA9ENPP3
SCHEMBL17734968 0.91 CA12 (0.43) CA12CA1CA2CA9ENPP3
SCHEMBL17734553 0.91 CA12 (0.41) CA12CA1CA2CA9ENPP3
SCHEMBL17735025 0.90 CA12 (0.34) CA12CA1CA2CA9MET
SCHEMBL17735009 0.90 HSD17B1 (0.36) CA12CA1CA2CA9MET
SCHEMBL17734997 0.90 HSD17B1 (0.36) CA12CA1CA2CA9MET
SCHEMBL17734992 0.90 CYP1A2 (0.37) METCTSDBACE1CYP2C9ALDH1A1

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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 US disclosed
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT ARL1, CCNL2, APOL1 CA12 3357/4885CA1 2846/4885CA2 1510/4885

“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.