SCHEMBL4454159

SCHEMBL4454159

ClCc1ccc([C@H]2O[C@@H]2c2ccc(CCl)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MDM2 Q00987 2/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL4454164 1.00 CA1 (0.37) CA1CA2MDM2PLAU
SCHEMBL4454167 1.00 CA1 (0.37) CA1CA2MDM2PLAU
SCHEMBL97582 0.74 CA1 (0.52) CA1CA2
SCHEMBL506351 0.71 CA1 (0.34) CA1CA2
SCHEMBL4330934 0.71 TSHR (0.50) CA1CA2
SCHEMBL10523982 0.70 LMNA (0.47) MDM2
SCHEMBL9729085 0.70 LMNA (0.47) MDM2
SCHEMBL16213455 0.70 ESR2 (0.42) CA1CA2
SCHEMBL7473813 0.70 CCNB2 (0.35) CA1CA2
SCHEMBL30142570 0.67 HRH3 (0.41)

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-8227635-B2 Apparatus and method for carrying out multiple reactions UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-12-03 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-20090299102-A1 APPARATUS AND METHOD FOR CARRYING OUT MULTIPLE REACTIONS DDO, APEX1, MMAB CA1 1623/4885CA2 3089/4885MDM2 258/4885

“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.