SCHEMBL17734577

SCHEMBL17734577

Cc1cc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(C)cccc3C)c(C)c2)ccc1N(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1c(C)cccc1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL17734519 0.93 HSD17B1 (0.32) HSD17B1HSD17B2ALDH1A1CYP2A6
SCHEMBL17734738 0.90 TNKS2 (0.31) TNKS2
SCHEMBL17734847 0.90 CRHR1 (0.34) CA12CA1CA2CA9TNKS2
SCHEMBL17734576 0.88 TNKS2 (0.32) TNKS2
SCHEMBL17734516 0.88 HSD17B1 (0.37) HSD17B1HSD17B2TNKS2ALDH1A1
SCHEMBL17734497 0.88 HSD17B1 (0.37) HSD17B1HSD17B2TNKS2ALDH1A1
SCHEMBL17734971 0.88 CA12 (0.43) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL17734531 0.87 HSD17B1 (0.36) HSD17B1HSD17B2TNKS2ALDH1A1
SCHEMBL16437976 0.87 TNKS2 (0.39) HSD17B1HSD17B2TNKS2ALDH1A1
SCHEMBL17734581 0.87 CRHR1 (0.36) HSD17B1HSD17B2CA12CA1CA2

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 HSD17B1 2383/4885HSD17B2 2310/4885CA12 3357/4885

“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.