SCHEMBL3424828

SCHEMBL3424828

CC1(CCO)CCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
HTT P42858 1/20 0.35
MAP3K14 Q99558 2/20 0.35
GAA P10253 1/20 0.34
LDHA P00338 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL7144622 0.90 ITGB2 (0.39) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29960585 0.81 HTR2A (0.40) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL5173976 0.81 NR3C1 (0.38) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL11886853 0.81 AKR1B1 (0.47) KMT2ASMN1; SMN2HTTGAA
SCHEMBL5173756 0.81 KMT2A (0.35) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL7143121 0.80 KMT2A (0.39) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL3426809 0.80 LMNA (0.39) KMT2ALMNAHTTMAP3K14GAA
SCHEMBL5173909 0.80 KMT2A (0.34) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL3428659 0.79 KMT2A (0.36) ITGB2ICAM1ITGALKMT2ASMN1; SMN2
SCHEMBL3421953 0.79 ITGB2 (0.35) ITGB2ICAM1ITGALKMT2ASMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
CN-101160305-A Substituted chroman derivatives, method for the production and the use thereof in the form of antiphlogistics SCHERING AG (DE) 2008-04-09 CN disclosed
EP-1869013-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
CN-101087780-A Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs BAYER SCHERING PHARMA AG (DE) 2007-12-12 CN disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2006108711-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 WO disclosed
US-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs SCHERING AG (DE) 2006-07-27 US disclosed
WO-2006066950-A2 TRICYCLIC AMINOALCOHOLS, METHODS FOR PRODUCING THE SAME AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 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 (3 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-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs ALDH7A1, NOTUM, GOT2 ITGB2 2789/4885ICAM1 754/4885ITGAL 2196/4885
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R ITGB2 1853/4885ICAM1 1528/4885ITGAL 1294/4885
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO ITGB2 490/4885ICAM1 79/4885ITGAL 796/4885

“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.