SCHEMBL18484464

SCHEMBL18484464

COc1cc(C#N)c(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.47
▸ AR P10275 3/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40

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
SCHEMBL14805638 0.84 SRC (0.42) SRCARKDM4EUSP2ALDH1A1
SCHEMBL1119200 0.80 GPR35 (0.45) ARKDM4EUSP2ALDH1A1POLB
SCHEMBL2677978 0.80 CYP1A2 (0.44) CYP1A2CYP1A1CYP1B1ALDH1A1ACHE
SCHEMBL31432852 0.80 ACHE (0.61) SRCARKDM4EUSP2ALDH1A1
SCHEMBL4406542 0.80 AR (0.45) SRCARKDM4EUSP2ALDH1A1
SCHEMBL4694671 0.80 AR (0.49) SRCARKDM4EUSP2ALDH1A1
SCHEMBL18245208 0.80 CYP1A2 (0.44) CYP1A2CYP1A1CYP1B1ALDH1A1ACHE
SCHEMBL20589615 0.78 KDM4E (0.59) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL31095269 0.78 KDM4E (0.59) SRCKDM4EUSP2ALDH1A1HPGD
SCHEMBL2390290 0.78 ALOX15 (0.43) SRCARKDM4EUSP2ALDH1A1

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-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 — — US disclosed
CN-1604778-A Cis-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE (CH) 2005-04-06 — — CN 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B SRC 1873/4885AR 2395/4885CYP1A2 571/4885

“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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