SCHEMBL17734847

SCHEMBL17734847

Cc1cc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(C)cccc3-c3ccc(-c4ccccc4)cc3)c(C)c2)ccc1N(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1c(C)cccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TYMS P04818 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL17734824 0.95 KDM4E (0.34) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734581 0.95 CRHR1 (0.36) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734819 0.92 TYMS (0.37) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734838 0.92 TYMS (0.37) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734827 0.91 TYMS (0.36) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734815 0.90 TYMS (0.37) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734577 0.90 HSD17B1 (0.31) CA12CA1CA2CA9TNKS2
SCHEMBL17734853 0.90 CA12 (0.35) CRHR1KDM4ETYMSCA12CA1
SCHEMBL17734843 0.89 CA12 (0.41) CRHR1CA12CA1CA2CA9
SCHEMBL17734813 0.89 HPRT1 (0.36) CRHR1TYMS

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 CRHR1 1895/4885KDM4E 1331/4885TYMS 4657/4885

“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.