SCHEMBL3971632

SCHEMBL3971632

C=CCOc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
PARP10 Q53GL7 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 1/20 0.45
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
GAA P10253 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL268446 0.94 CA12 (0.55) CA12CA1CA9CA2CA7
SCHEMBL15096018 0.89 CA12 (0.50) CA12CA1CA9CA2CA7
SCHEMBL4198376 0.87 ALDH1A1 (0.45) CA12CA1CA9CA2CA7
SCHEMBL3487338 0.86 CA12 (0.57) CA12CA1CA9CA2CA7
SCHEMBL3962747 0.85 KDM4E (0.44) CA12CA1CA9CA2CA7
SCHEMBL3970350 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNAPARP10
SCHEMBL3965437 0.80 FLT3 (0.41) CA12CA1CA9CA2CA7
SCHEMBL3962551 0.80 FLT3 (0.41) CA12CA1CA9CA2CA7
SCHEMBL3968165 0.80 FLT3 (0.43) CA12CA1CA9CA2CA7
1,4-Diallyloxybenzene SCHEMBL302448 0.79 CA12 (0.63) CA12CA1CA9CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 US disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 CA12 4241/4885CA1 3999/4885CA9 3712/4885

“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.