SCHEMBL3489062

SCHEMBL3489062

O=C(O)CCCn1cccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
FDPS P14324 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
EGLN3 Q9H6Z9 2/20 0.39
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PTGIR P43119 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5521617 0.94 TBXAS1 (0.49) TBXAS1FDPSHTTTHRBFABP4
SCHEMBL9845290 0.93 TBXAS1 (0.51) TBXAS1KMT2AFABP4LMNAPTGIR
SCHEMBL9845261 0.93 TBXAS1 (0.51) TBXAS1KMT2AFABP4LMNAPTGIR
SCHEMBL5514714 0.93 TBXAS1 (0.51) TBXAS1KMT2AFABP4LMNAPTGIR
Water SCHEMBL9845268 0.91 TBXAS1 (0.50) TBXAS1KMT2AFABP4LMNAPTGIR
SCHEMBL4663218 0.88 EGLN3 (0.50) FDPSHTTTHRBKMT2AEGLN3
Hydrochloric Acid SCHEMBL17337686 0.86 EGLN3 (0.48) FDPSHTTTHRBKMT2AEGLN3
SCHEMBL4797270 0.85 LMNA (0.41) FDPSHTTTHRBKMT2ALMNA
SCHEMBL21996470 0.83 THRB (0.43) FDPSTHRBKMT2ALMNAPOLB
SCHEMBL6446995 0.79 LMNA (0.40) FDPSHTTTHRBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055116-A1 Methods and Compositions for Targeting c-Rel CORNELL RESEARCH FOUNDATION, INC. 2010-03-04 US claimed
CN-101460634-A Methods and compositions for targeting C-REL CORNELL RES FOUNDATION INC (US) 2009-06-17 CN claimed
EP-2010225-A2 METHODS AND COMPOSITIONS FOR TARGETING C-REL Cornell Research Foundation, Inc. (US) 2009-01-07 EP claimed
WO-2007120842-A2 METHODS AND COMPOSITIONS FOR TARGETING C-REL CORNELL RESEARCH FOUNDATION, INC. (US) 2007-10-25 WO claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-20220340535-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2022-10-27 US disclosed
EP-4029868-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-07-20 EP disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
WO-2006134486-A2 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed
WO-2006134485-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed
CN-1069271-A Preparation [1] chromene is the method for [4,3-c] pyrazole compound also BOOTS CO PLC (GB) 1993-02-24 CN 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 (4 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TBXAS1 3051/4885FDPS 3576/4885HTT 2323/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 TBXAS1 3051/4885FDPS 3576/4885HTT 2323/4885
US-20100055116-A1 Methods and Compositions for Targeting c-Rel REL, NFATC1, MYCBP TBXAS1 3831/4885FDPS 4348/4885HTT 2949/4885
US-20220340535-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TBXAS1 3051/4885FDPS 3576/4885HTT 2323/4885

“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.