SCHEMBL14805638

SCHEMBL14805638

COc1cc(OC(C)(C)C)cc(C#N)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.42
▸ AR P10275 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ GAK O14976 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL18484464 0.84 SRC (0.47) SRCARKDM4EUSP2ALDH1A1
SCHEMBL2733313 0.82 ACHE (0.50) KDM4EALDH1A1HPGDACHECYP3A4
SCHEMBL14806539 0.80 AR (0.33) ARHPGDIMPDH2
SCHEMBL14805868 0.78 ALDH1A1 (0.54) ARKDM4EUSP2ALDH1A1IMPDH2
SCHEMBL31432852 0.73 ACHE (0.61) SRCARKDM4EUSP2ALDH1A1
SCHEMBL16122429 0.73 AR (0.33) AR
SCHEMBL31095269 0.72 KDM4E (0.59) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL20589615 0.72 KDM4E (0.59) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL2390290 0.72 ALOX15 (0.43) SRCARKDM4EUSP2ALDH1A1
SCHEMBL12299457 0.71 NPC1 (0.48) ARKDM4EUSP2ALDH1A1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 — — US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — 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 (2 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B SRC 1873/4885AR 2395/4885KDM4E 1199/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B SRC 1873/4885AR 2395/4885KDM4E 1199/4885

“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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