SCHEMBL7003629

SCHEMBL7003629

C=CCOC(=O)N1C/C(=C/C)C[C@H]1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
ERN1 O75460 2/20 0.37
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL7842649 0.87 CYP19A1 (0.43) CYP19A1ERN1SIGMAR1
SCHEMBL7842654 0.87 CYP19A1 (0.43) CYP19A1ERN1SIGMAR1
SCHEMBL7842652 0.87 CYP19A1 (0.43) CYP19A1ERN1SIGMAR1
SCHEMBL7004961 0.87 CYP19A1 (0.43) CYP19A1ERN1SIGMAR1
SCHEMBL7004957 0.87 CYP19A1 (0.43) CYP19A1ERN1SIGMAR1
SCHEMBL8152835 0.84 CYP19A1 (0.58) CYP19A1ERN1MMP2ANPEPSIGMAR1
SCHEMBL2380958 0.79 PTPN1 (0.49) CYP19A1MMP2ANPEPPTPN1
SCHEMBL30987621 0.79 PTPN1 (0.49) CYP19A1MMP2ANPEPPTPN1
SCHEMBL2380961 0.79 PTPN1 (0.49) CYP19A1MMP2ANPEPPTPN1
SCHEMBL2836619 0.79 PTPN1 (0.49) CYP19A1MMP2ANPEPPTPN1

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-20030195196-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-10-16 US disclosed
EP-1109811-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2003-08-06 EP disclosed
US-6562806-B1 A prodrug may be converted into an antitumour agent under the influence of an enzyme that is linked to a monoclonal antibody so that it can bind to a tumour associated antigen SPIROGEN LIMITED (GB) 2003-05-13 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-20030195196-A1 Pyrrolobenzodiazepines CNR2, CNR1, HRH3 CYP19A1 4672/4885ERN1 3848/4885MMP2 4771/4885

“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.