SCHEMBL3962747

SCHEMBL3962747

C=CCOc1cc(C)cc(Oc2ccc(C=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
CYP2A6 P11509 2/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
KAT6A Q92794 1/20 0.37

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
SCHEMBL3970350 0.89 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL3971632 0.85 CA12 (0.50) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL8547510 0.84 ALDH1A1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL4198376 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL1161753 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL15091447 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL268446 0.79 CA12 (0.55) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL663655 0.76 CA12 (0.42) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL3595767 0.76 ALDH1A1 (0.41) ALDH1A1HPGDGAASMN1; SMN2LMNA
SCHEMBL3962555 0.75 FLT3 (0.43) KDM4EALDH1A1HPGDGAASMN1; SMN2

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 KDM4E 4102/4885ALDH1A1 1310/4885HPGD 1077/4885

“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.