SCHEMBL10329400

SCHEMBL10329400

CC1(C)COC1c1ccc(OCC2CC=CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ APP P05067 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ACACB O00763 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31

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
SCHEMBL16882662 1.00 MAOA (0.34) MAOAMAOBCDK1CCNB1CCNA2
SCHEMBL10329979 0.81 PARP15 (0.41) TDP1ACACBPARP15PARP10PARP2
SCHEMBL13810640 0.79 CDK1 (0.44) MAOAMAOBCDK1CCNB1CCNA2
SCHEMBL10329392 0.77 ALDH1A1 (0.53) TDP1APPLMNATP53MAPT
SCHEMBL10329391 0.77 SIGMAR1 (0.33) ACACBPARP15PARP10PARP2
SCHEMBL13651823 0.76 MAPT (0.39) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL13183274 0.75 NQO1 (0.47) MAOAMAOBMAPK1TDP1LMNA
SCHEMBL10329398 0.75 TDP1 (0.31) TDP1APP
SCHEMBL13810638 0.75 CDK1 (0.42) MAOAMAOBCDK1CCNB1CCNA2
SCHEMBL13651821 0.73 ALDH1A1 (0.36) APPLMNAKDM4EMAPTTSHR

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
US-8222436-B2 Oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-8222436-B2 Oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — 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-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD OXER1, NOX1, NOX4 MAOA 1514/4885MAOB 1333/4885CDK1 436/4885

“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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