SCHEMBL2448671

SCHEMBL2448671

COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 1.00
ALDH1A1 P00352 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
ATM Q13315 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
CA1 P00915 3/20 0.77
CA2 P00918 3/20 0.77
RELA Q04206 1/20 0.72
CXCL12 P48061 1/20 0.71
CYP1A1 P04798 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C8 P10632 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP1B1 Q16678 1/20 0.71
ABCB1 P08183 2/20 0.70
ABCG2 Q9UNQ0 4/20 0.69
TUBB1 Q9H4B7 1/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68

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
SCHEMBL2448676 1.00 KRAS (1.00) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL15155080 0.89 ABCG2 (0.86) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL15155082 0.89 ABCG2 (0.86) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL13018517 0.87 KRAS (1.00) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL5653173 0.87 KRAS (0.79) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL19183065 0.87 CA1 (1.00) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL615818 0.87 KRAS (1.00) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL5653179 0.87 KRAS (0.79) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL13018515 0.87 CA1 (1.00) KRASALDH1A1SMN1; SMN2ATML3MBTL1
SCHEMBL3733260 0.86 ABCG2 (0.86) KRASALDH1A1SMN1; SMN2ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041408-A1 SMALL MOLECULE IMMUNOPOTENTIATOR CONJUGATES OF NFKB ACTIVATORS AS ADJUVANTS WITH ENHANCED EFFICACY AND REDUCED TOXICITY THE UNIVERSITY OF CHICAGO 2025-02-06 US disclosed
US-20220387561-A1 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO COSTA RICAN SOCIAL SECURITY FUND / CAJA COSTARRICENSE DE SEGURO SOCIAL CCSS (CR) 2022-12-08 US disclosed
US-20220008519-A1 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO Costa Rican Social Security Fund / Caja Costarricense de Seguro Social (CCSS) (CR) 2022-01-13 US disclosed
WO-2022008971-A2 TREATMENT OF SEVERE ACUTE RESPIRATORY SYNDROME-RELATED CORONAVIRUS INFECTION WITH KLOTHO Costa Rican Social Security Fund / Caja Costarricense de Seguro Social (CCSS) (CR) 2022-01-13 WO disclosed
US-20210346495-A1 METHODS AND COMPOSITIONS COMPRISING AN NFKB INHIBITOR AND AN ADJUVANT THE UNIVERSITY OF CHICAGO (US) 2021-11-11 US disclosed
US-20210093612-A1 SYSTEMS AND METHODS TO TREAT PAIN LOCALLY WARSAW ORTHOPEDIC INC (US) 2021-04-01 US disclosed
EP-2827890-B1 IMMUNOMODULATORY AGENT AND USES THEREFOR UNIV QUEENSLAND (AU) 2019-08-28 EP disclosed
EP-2077821-B1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES UNIV QUEENSLAND (AU) 2019-08-14 EP disclosed
US-20190125826-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY SKIN DISEASES ASSOCIATED WITH DESMOGLEIN-1 DEFICIENCY INSERM INSTITUT NAT DE LA SANTE ET DE LA MEDICALE (FR) 2019-05-02 US disclosed
US-20190083464-A1 SYSTEMS AND METHODS TO TREAT PAIN LOCALLY WARSAW ORTHOPEDIC, INC. 2019-03-21 US disclosed
EP-2363122-A1 Clonidine to treat pain locally Medtronic, Inc. (US) 2011-09-07 EP disclosed
US-20100159015-A1 Systems and Methods to Treat Pain Locally WARSAW ORTHOPEDIC, INC. (US) 2010-06-24 US disclosed
EP-2043625-A1 NFKAPPAB INHIBITORS TO TREAT PAIN LOCALLY Medtronic, Inc. (US) 2009-04-08 EP disclosed
WO-2008014066-A1 NFKAPPAB INHIBITORS TO TREAT PAIN LOCALLY MEDTRONIC, INC. (US) 2008-01-31 WO disclosed
EP-1720552-A2 METHODS FOR TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES Arizona Board of Regents, acting for and on behalf of Arizona State University (US) 2006-11-15 EP disclosed
US-20060253100-A1 Systems and Methods to Treat Pain Locally MEDTRONIC, INC. (US) 2006-11-09 US disclosed
US-20060024691-A1 Novel pathways in the etiology of cancer BUCK INSTITUTE FOR AGE RESEARCH 2006-02-02 US disclosed
US-20050271661-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED (US) 2005-12-08 US disclosed
US-20050261246-A1 Methods for treating inflammatory and autoimmune diseases THE ARIZONA BOARD OF REGENTS 2005-11-24 US disclosed
WO-2005089736-A2 METHODS FOR TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES THE ARIZONA BOARD OF REGENTS, ON BEHALF OF, ARIZONA STATE UNIVERSITY (US) 2005-09-29 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 (2 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-20210346495-A1 METHODS AND COMPOSITIONS COMPRISING AN NFKB INHIBITOR AND AN ADJUVANT NFKBIA, IKBKG, NFKB2 KRAS 2175/4885ALDH1A1 4681/4885SMN1; SMN2 3605/4885
US-20250041408-A1 SMALL MOLECULE IMMUNOPOTENTIATOR CONJUGATES OF NFKB ACTIVATORS AS ADJUVANTS WITH ENHANCED EFFICACY AND REDUCED TOXICITY NFKBIA, NFRKB, NFKB2 KRAS 971/4885ALDH1A1 4393/4885SMN1; SMN2 3928/4885

“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.