SCHEMBL14416486

SCHEMBL14416486

Cc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-5)c5cc(C)ccc5-c5ccc(C)cc54)cc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(C)cc42)c2ccccc2-3)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.40
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ PTPRC P08575 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
SCHEMBL14420683 1.00 PDK2 (0.40) PDK2HSD17B1HSD17B2PGRLMNA
SCHEMBL12204956 0.96 PDK2 (0.41) PDK2LMNANPSR1ESR1ESR2
SCHEMBL13938571 0.96 PDK2 (0.41) PDK2LMNANPSR1ESR1ESR2
SCHEMBL14520994 0.96 PDK2 (0.42) PDK2HSD17B1HSD17B2PGRLMNA
SCHEMBL21416415 0.95 PDK2 (0.40) PDK2PGRLMNANPSR1ESR1
SCHEMBL17153684 0.94 PDK2 (0.47) PDK2HSD17B1HSD17B2PGR
SCHEMBL15473730 0.93 PDK2 (0.41) PDK2HSD17B1HSD17B2LMNANPSR1
SCHEMBL18906597 0.93 PDK2 (0.41) PDK2HSD17B1HSD17B2LMNANPSR1
SCHEMBL17070108 0.93 PDK2 (0.41) PDK2HSD17B1HSD17B2LMNANPSR1
SCHEMBL2431947 0.93 PDK2 (0.41) PDK2HSD17B1HSD17B2LMNANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219398-A1 Benzidine Derivative, and Light-Emitting Device and Electric Appliance Using the Benzinine Derivative as the Hole Transporting Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-09-20 — — 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-20070219398-A1 Benzidine Derivative, and Light-Emitting Device and Electric Appliance Using the Benzinine Derivative as the Hole Transporting Material SLC19A2, BZW2, BZW1 PDK2 3350/4885HSD17B1 3645/4885HSD17B2 4104/4885

“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.

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