SCHEMBL14296777

SCHEMBL14296777

CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ AVPR1A P37288 1/20 0.32
▸ TSPO P30536 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR4A2 P43354 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 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
SCHEMBL14296740 0.96 ATM (0.36) ATMKDM4EL3MBTL1HDAC4FAAH
SCHEMBL14296784 0.95 HDAC4 (0.35) ATMKDM4EL3MBTL1HDAC4FAAH
SCHEMBL14296755 0.95 HDAC4 (0.35) ATMKDM4EL3MBTL1HDAC4FAAH
SCHEMBL14296739 0.93 KDM4E (0.33) ATMKDM4EL3MBTL1HDAC4FAAH
SCHEMBL13231642 0.92 KDM4E (0.41) ATMKDM4EL3MBTL1HDAC4ALDH1A1
SCHEMBL12333527 0.91 KDM4E (0.34) ATMKDM4EL3MBTL1HDAC4AVPR1A
SCHEMBL2453123 0.91 L3MBTL1 (0.44) ATMKDM4EL3MBTL1HDAC4ALDH1A1
SCHEMBL16865321 0.91 L3MBTL1 (0.44) ATMKDM4EL3MBTL1HDAC4ALDH1A1
SCHEMBL14296778 0.91 HDAC4 (0.34) ATMKDM4EL3MBTL1HDAC4FAAH
SCHEMBL13557750 0.91 KDM4E (0.41) ATMKDM4EL3MBTL1HDAC4TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10008673-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2018-06-26 — — US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 — — US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 — — 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 (3 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-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 ATM 4337/4885KDM4E 2681/4885L3MBTL1 3745/4885
US-10008673-B2 Compounds for electronic devices CYP1B1, CYP1A1, CYP2E1 ATM 4337/4885KDM4E 2681/4885L3MBTL1 3745/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 ATM 4337/4885KDM4E 2681/4885L3MBTL1 3745/4885

“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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