SCHEMBL13810640

SCHEMBL13810640

C1=CCC(COc2ccc(OCC3CC=CCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ CCNA2 P20248 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ PARP15 Q460N3 4/20 0.43
▸ PARP10 Q53GL7 4/20 0.43
▸ PARP2 Q9UGN5 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13810638 0.94 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL13810637 0.91 TDP1 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10329402 0.87 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL13810639 0.87 KMT2A (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12567827 0.86 PARP15 (0.51) PARP15PARP10PARP2MAPK1TSHR
SCHEMBL13810644 0.82 KMT2A (0.57) TDP1KDM4EHTTALDH1A1TSHR
SCHEMBL10329400 0.79 MAOA (0.34) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16882662 0.79 MAOA (0.34) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10329401 0.79 ALDH1A1 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6768199 0.78 CDK2 (0.50) CDK1CCNB1CCNA2CDK2CCNA1

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-20090162675-A1 PLASTIC PACKAGING ARTICLES FOR OXYGEN SENSITIVE PRODUCTS GRAHAM PACKAGING CO. (US) 2009-06-25 — — US disclosed
US-20090162675-A1 PLASTIC PACKAGING ARTICLES FOR OXYGEN SENSITIVE PRODUCTS GRAHAM PACKAGING CO. (US) 2009-06-25 — — 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-20090162675-A1 PLASTIC PACKAGING ARTICLES FOR OXYGEN SENSITIVE PRODUCTS SOD1, GPX4, MT-CO2 CDK1 3715/4885CCNB1 4353/4885CCNA2 1904/4885

“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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