SCHEMBL5553407

SCHEMBL5553407

C#CCN1CCC(OC)(OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.38
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
BCHE P06276 1/20 0.34
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MMP14 P50281 1/20 0.33
MAOA P21397 5/20 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
SCHEMBL13290604 0.73 KDM4E (0.35) MMP9MMP13MMP1
SCHEMBL15447118 0.72 MAOB (0.36) MAOBMMP2MMP9MMP13MMP1
SCHEMBL24247404 0.71 LMNA (0.40) MAOBBCHEMAOA
SCHEMBL1769287 0.71
SCHEMBL26831741 0.71 LMNA (0.40) MAOBBCHEMAOA
SCHEMBL15870032 0.71 LMNA (0.40) MAOBBCHEMAOA
SCHEMBL31673192 0.68 BCHE (0.32) MMP2MMP9MMP13MMP1MMP3
SCHEMBL20857095 0.67 DRD2 (0.36) MAOBDRD2SIGMAR1MAOA
SCHEMBL27498560 0.67 BCHE (0.51) MAOBBCHEMAOA
SCHEMBL2475455 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
CN-1182123-C Substituted bicyclic derivatives useful as anticancer agents �Ʒ� 2004-12-29 CN disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 MAOB 2762/4885MMP2 2676/4885MMP9 3920/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 MAOB 2762/4885MMP2 2676/4885MMP9 3920/4885

“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.