SCHEMBL131444

SCHEMBL131444

[O]C1CCOc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
HTT P42858 1/20 0.41
SSTR4 P31391 1/20 0.39
MAP3K14 Q99558 2/20 0.38
TRPV1 Q8NER1 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KEAP1 Q14145 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
SCHEMBL29457666 0.79 MAP3K14 (0.58) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29699812 0.79 MAP3K14 (0.58) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29894820 0.79 MAP3K14 (0.58) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL2309021 0.79 MAP3K14 (0.58) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL131445 0.79 MAP3K14 (0.58) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL819188 0.79 MAP3K14 (0.58) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Formaldehyde SCHEMBL27517296 0.79 MAP3K14 (0.53) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL5541762 0.78 LTB4R (0.47) ITGB2ICAM1ITGALHTTABCG2
SCHEMBL129421 0.77 ITGB2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL21950419 0.77 ITGB2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320485-A Method for synthesizing tegolazan chiral alcohol 海门慧聚药业有限公司 2019-02-12 CN disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 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 (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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ITGB2 2176/4885ICAM1 139/4885ITGAL 1757/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 ITGB2 3081/4885ICAM1 1305/4885ITGAL 2976/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ITGB2 1242/4885ICAM1 180/4885ITGAL 2440/4885

“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.