SCHEMBL13475650

SCHEMBL13475650

C1=C(c2ccc(N(c3ccc(C4=Cc5ccccc5C4(c4ccccc4)c4ccccc4)cc3)c3ccc(C4=Cc5ccccc5C4(c4ccccc4)c4ccccc4)cc3)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL24368502 0.98 ALDH1A1 (0.35) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL24369027 0.97 ESR1 (0.36) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL24368497 0.97 ESR1 (0.36) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL24368694 0.97 ESR1 (0.36) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL13475674 0.89 ESR1 (0.33) ESR1ESR2
SCHEMBL24369029 0.89 ESR1 (0.33) ESR1ESR2
SCHEMBL24368509 0.88 ESR1 (0.36) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL12762129 0.88 ACHE (0.33) ESR1ESR2
SCHEMBL24368696 0.88 ESR1 (0.36) ESR1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL24368695 0.87 ESR1 (0.35) ESR1ESR2KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817272-B1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2010-02-03 EP disclosed
US-20080125609-A1 Compounds for Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-05-29 US disclosed
US-20080125609-A1 Compounds for Organic Electronic Devices MERCK PATENT GMBH (DE) 2008-05-29 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-20080125609-A1 Compounds for Organic Electronic Devices PIEZO1, ETV6, OR10J3 ESR1 5/4885ESR2 49/4885KDM4E 2229/4885

“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.