SCHEMBL16005302

SCHEMBL16005302

CC1(C)C2CCC1(C)C(OC(=O)c1ccc(NCc3cc(F)ccc3O)cc1O)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
ELANE P08246 2/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
CYP19A1 P11511 2/20 0.41
SHBG P04278 1/20 0.40
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
NOX4 Q9NPH5 1/20 0.37

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
SCHEMBL16005254 0.92 MAPT (0.47) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005165 0.90 EGFR (0.47) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005468 0.90 EGFR (0.47) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005306 0.90 MAPT (0.50) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16145781 0.90 EGFR (0.45) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005147 0.88 MAPT (0.45) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005295 0.84 MAPT (0.48) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005636 0.84 MAPT (0.48) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005098 0.83 MAPT (0.46) EGFRMAPTMAPK1KMT2AELANE
SCHEMBL16005384 0.83 MAPT (0.46) EGFRMAPTMAPK1KMT2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 EP claimed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US claimed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 EP claimed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 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-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 EGFR 4623/4885MAPT 887/4885MAPK1 950/4885

“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.