SCHEMBL22692976

SCHEMBL22692976

CCCCCC(C)Nc1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CACNA2D1 P54289 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL28070127 0.98 KDM4E (0.39) CYP1A2CYP2C9CYP2C19IDO1KDM4E
SCHEMBL21799625 0.95 IDO1 (0.42) CYP1A2CYP2C9CYP2C19IDO1KDM4E
SCHEMBL21799545 0.88 TLR8 (0.41) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL29922607 0.88 TLR8 (0.41) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL11524920 0.88 IDO1 (0.43) IDO1KDM4EKMT2AL3MBTL1CACNA2D1
SCHEMBL10597073 0.86 ADH1B (0.44) IDO1KDM4EKMT2AL3MBTL1CACNA2D1
SCHEMBL11526271 0.86 ADH1B (0.44) IDO1KDM4EKMT2AL3MBTL1CACNA2D1
SCHEMBL11527742 0.86 ADH1B (0.44) IDO1KDM4EKMT2AL3MBTL1CACNA2D1
SCHEMBL3395176 0.82 IDO1 (0.47) IDO1L3MBTL1CACNA2D1POLBCNR2
SCHEMBL29922590 0.80 TDP1 (0.48) CYP1A2CYP2C9CYP2C19KDM4EKMT2A

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-10847729-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-11-24 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-10847729-B2 Organic electroluminescent materials and devices OSBPL3, OR10J3, OSBP2 CYP1A2 3927/4885CYP2C9 2833/4885CYP2C19 3820/4885

“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.