SCHEMBL7638129

SCHEMBL7638129

CC1C(=O)C=C2CCCCC21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
TLR4 O00206 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7642146 0.98 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7932965 0.98 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7637198 0.98 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7939436 0.98 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7638140 0.98 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7642303 0.98 CYP19A1 (0.46) CYP19A1TLR4CA1CA2CA4
SCHEMBL7640442 0.94 CYP19A1 (0.41) CYP19A1TLR4CA1CA2CA4
SCHEMBL7641866 0.76 CYP19A1 (0.43) CYP19A1TLR4CA1CA2CA4
SCHEMBL7639300 0.76 CYP19A1 (0.43) CYP19A1TLR4CA1CA2CA4
SCHEMBL7641527 0.74 CYP19A1 (0.43) CYP19A1TLR4CA1CA2CA4

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-6482966-B2 REDUCING A CROSSLINK-CYCLIZED CYCLOPENTANONE WITH AN ALKALI METAL HYDRIDE, AND THEN REATING THE RESULTING CROSSLINK-CYCLIZED CYCLOPENTENOL IS WITH A DEHYDRATING AGENT HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2002-11-19 US disclosed
US-20010012902-A1 Crosslink-cyclized cyclopentadiene and dihalobis type metal compound containing same as ligand HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-08-09 US disclosed
EP-1122229-A1 Process for the preparation of condensed cyclopentadiene derivatives, 1, 3 disubstituted derivatives and metallocene type compounds containing them as ligand HONSHU CHEMICAL INDUSTRY CO. LTD. (JP) 2001-08-08 EP 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-20010012902-A1 Crosslink-cyclized cyclopentadiene and dihalobis type metal compound containing same as ligand CYC1, DCLRE1A, PPIL1 CYP19A1 1144/4885TLR4 4259/4885CA1 152/4885

“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.