SCHEMBL17734516

SCHEMBL17734516

Cc1cc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c(C)cccc3C)c(C)c2)ccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1c(C)cccc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TYMS P04818 1/20 0.35
TNKS2 Q9H2K2 1/20 0.33
MGLL Q99685 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ESR2 Q92731 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAOA P21397 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PGR P06401 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL17734497 1.00 HSD17B1 (0.37) HSD17B1HSD17B2TYMSTNKS2MGLL
SCHEMBL17734531 0.98 HSD17B1 (0.36) HSD17B1HSD17B2TYMSTNKS2MGLL
SCHEMBL17734504 0.93 HSD17B1 (0.32) HSD17B1HSD17B2TYMSALDH1A1MAPT
SCHEMBL17734520 0.92 HSD17B1 (0.36) HSD17B1HSD17B2TYMSTNKS2MGLL
SCHEMBL17734838 0.91 TYMS (0.37) HSD17B1HSD17B2TYMSMAPTESR2
SCHEMBL17734819 0.91 TYMS (0.37) HSD17B1HSD17B2TYMSMAPTESR2
SCHEMBL17734827 0.90 TYMS (0.36) HSD17B1HSD17B2TYMSMAPTESR2
SCHEMBL17734703 0.89 HSD17B1 (0.36) HSD17B1HSD17B2TYMSTNKS2MGLL
SCHEMBL17734502 0.89 ALDH1A1 (0.32) HSD17B1HSD17B2ALDH1A1ESR2
SCHEMBL19341526 0.88 HSD17B1 (0.38) HSD17B1HSD17B2TNKS2MGLLBRD4

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 2310/4885TYMS 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.