SCHEMBL4581986

SCHEMBL4581986

COc1ccc(C(=O)Oc2ccc(-c3ccc4c(c3COC(=O)c3ccc(C)s3)N(C)C(=O)C(C)(C)N4)c(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31
PRNP P04156 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GBA1 P04062 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
SCHEMBL4581552 0.95 IL6 (0.47) IL6ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL4134561 0.95 IL6 (0.48) IL6ALDH1A1LMNAKMT2AKDM4E
SCHEMBL4580258 0.94 IL6 (0.47) IL6ALDH1A1LMNAPOLBKDM4E
SCHEMBL4580213 0.92 IL6 (0.47) IL6ALDH1A1LMNA
SCHEMBL4581433 0.92 IL6 (0.52) IL6ALDH1A1LMNAKMT2APRNP
SCHEMBL4139189 0.92 IL6 (0.47) IL6ALDH1A1LMNAKMT2ARXFP1
SCHEMBL4581021 0.91 IL6 (0.46) IL6ALDH1A1LMNAKMT2AKDM4E
SCHEMBL4581573 0.91 IL6 (0.46) IL6ALDH1A1LMNA
SCHEMBL4582028 0.90 IL6 (0.53) IL6ALDH1A1LMNAKMT2ARXFP1
SCHEMBL4143624 0.90 IL6 (0.49) IL6ALDH1A1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 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-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885ALDH1A1 3680/4885LMNA 4688/4885

“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.