SCHEMBL17736281

SCHEMBL17736281

Cc1ccccc1N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK2 Q15119 5/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 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
SCHEMBL17734630 0.93 ESR1 (0.40) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL17734530 0.93 ESR1 (0.37) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL3283167 0.91 ESR1 (0.40) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL12325205 0.91 ESR1 (0.40) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL17734716 0.91 ESR1 (0.38) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL17734775 0.91 ESR1 (0.38) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL16996300 0.88 ESR1 (0.40) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL13937789 0.88 ESR2 (0.35) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL1249324 0.87 PDK2 (0.36) ESR1ESR2PDK2
SCHEMBL29631622 0.87 PDK2 (0.36) ESR1ESR2PDK2

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-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 ESR1 15/4885ESR2 9/4885MEN1 2945/4885

“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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