SCHEMBL20126334

SCHEMBL20126334

COc1ccc(-c2ccc(C3CC(C)(C)NC(C)(C)C3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ABCB1 P08183 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NAAA Q02083 3/20 0.36
DHODH Q02127 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL16749130 0.89 L3MBTL1 (0.38) NPSR1CYP11B2ATML3MBTL1
SCHEMBL16749045 0.85 L3MBTL1 (0.34) NPSR1ATML3MBTL1
SCHEMBL13483857 0.85 MAPT (0.40) KDM4ENPSR1ATML3MBTL1
SCHEMBL20126212 0.83 HTR2C (0.38) KDM4EATML3MBTL1MAOBMAOA
SCHEMBL16749133 0.82 L3MBTL1 (0.34) L3MBTL1
SCHEMBL20126268 0.81 MAOB (0.45) MAOB
SCHEMBL20126252 0.80 CCR6 (0.33) ATML3MBTL1MAOBMAOA
SCHEMBL20126357 0.79 RARB (0.37) KDM4ENPSR1ATML3MBTL1
SCHEMBL18351246 0.79 L3MBTL1 (0.33) L3MBTL1
SCHEMBL20126330 0.78 ALDH1A1 (0.44) KDM4EATML3MBTL1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 KDM4E 3031/4885NPSR1 1209/4885CHRNB2 3980/4885

“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.