SCHEMBL14200213

SCHEMBL14200213

CC(C)(C)c1ccc(C(C)(C)C)c(OCCN2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ CYP2D6 P10635 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ MAPK14 Q16539 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SYK P43405 1/20 0.47
▸ FGFR2 P21802 1/20 0.46

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
SCHEMBL14200226 0.90 KDM4E (0.60) KDM4ECYP2D6CYP1A2CYP2C19HSD17B10
SCHEMBL20347952 0.86 KDM4E (0.55) KDM4EPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL10254237 0.86 KDM4E (0.59) KDM4ECYP2D6POLBL3MBTL1TSHR
SCHEMBL10223621 0.85 KDM4E (0.78) KDM4EPOLBL3MBTL1TSHRALDH1A1
SCHEMBL14228228 0.85 CYP2D6 (0.50) KDM4ECYP2D6CYP1A2CYP2C19HSD17B10
SCHEMBL179256 0.82 CYP1A2 (0.76) KDM4ECYP2D6CYP1A2CYP2C19HSD17B10
SCHEMBL13763492 0.82 KDM4E (0.53) KDM4ECYP2D6CYP1A2CYP2C19HSD17B10
SCHEMBL12781675 0.80 CYP2D6 (0.57) KDM4ECYP2D6CYP1A2CYP3A4L3MBTL1
SCHEMBL4404318 0.79 KDM4E (0.75) KDM4ECYP1A2POLBALDH1A1SMN1; SMN2
SCHEMBL10183563 0.79 CYP1A2 (0.63) KDM4ECYP2D6CYP1A2CYP2C19HSD17B10

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 — — US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 — — 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 KDM4E 4340/4885CYP2D6 427/4885CYP1A2 847/4885

“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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