SCHEMBL238241

SCHEMBL238241

CC(C)C(N)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 5/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
SLC13A5 Q86YT5 6/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CPT2 P23786 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL3416152 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL37069 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMAPTTSHR
Water SCHEMBL17966763 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTTSHR
Ammonia Solution, Strong SCHEMBL21219077 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL1648052 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL27805119 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTTSHR
Citric Acid SCHEMBL21145087 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMAPTTSHR
Citric Acid SCHEMBL6654790 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL25376169 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL28424349 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240150452-A1 MULTIFUNCTIONAL PROTEIN MOLECULES COMPRISING DECORIN AND USE THEREOF CATALENT PHARMA SOLUTIONS, LLC 2024-05-09 US disclosed
US-20240083868-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS, LLC 2024-03-14 US disclosed
WO-2024049734-A1 IMPLANTABLE DEVICE FOR INTRATUMORALLY ADMINISTERING A THERAPEUTIC AGENT CELANESE EVA PERFORMANCE POLYMERS LLC (US) 2024-03-07 WO disclosed
US-20240050415-A1 DACLATASVIR FOR USE IN TREATING LUNG AND PROSTATE CANCER HENRY FORD HEALTH SYSTEM (US) 2024-02-15 US disclosed
US-11879009-B2 Multifunctional protein molecules comprising decorin and use thereof CATALENT PHARMA SOLUTIONS, LLC (US) 2024-01-23 US disclosed
WO-2023172387-A1 IMPLANTABLE MEDICAL DEVICE FOR THE DELIVERY OF AROMATASE INHIBITOR CELANESE EVA PERFORMANCE POLYMERS LLC (US) 2023-09-14 WO disclosed
WO-2023163914-A1 INTRAVAGINAL RING DEVICE FOR THE DELIVERY OF AROMATASE INHIBITOR CELANESE EVA PERFORMANCE POLYMERS LLC (US) 2023-08-31 WO disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
WO-2023049095-A1 REFILLABLE IMPLANTABLE DEVICE FOR DELIVERING A DRUG COMPOUND CELANESE EVA PERFORMANCE POLYMERS LLC (US) 2023-03-30 WO disclosed
US-20090082295-A1 COMBINATIONS AND METHODS OF USING AN IMMUNOMODULATORY OLIGODEOXYNUCLEOTIDE PFIZER INC. (US) 2009-03-26 US disclosed
US-20090010878-A1 Pulsatile dosing of gossypol for treatment of disease ASCENTA THERAPEUTICS, INC. (US) 2009-01-08 US disclosed
US-20080253997-A1 COMPOSITIONS AND METHODS FOR PROTECTING CELLS FROM TOXIC EXPOSURES PERSCITUS BIOSCIENCES, LLC (US) 2008-10-16 US disclosed
EP-1938105-A1 METHOD TO ASSESS BREAST CANCER RISK The Children's Medical Center Corporation (US) 2008-07-02 EP disclosed
US-20080095755-A1 Methods and compositions for the treatment of cancer QUINTESSENCE BIOSCIENCES, INC. (US) 2008-04-24 US disclosed
US-20080021110-A1 Production of gossypol co-crystals REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-01-24 US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 US disclosed
US-20080019961-A1 Hedgehog signaling pathway antagonist cancer treatment REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-01-24 US disclosed
WO-2007059313-A1 METHOD TO ASSESS BREAST CANCER RISK CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-05-24 WO disclosed
US-20050261232-A1 Non-natural ribonuclease conjugates as cytotoxic agents QUINTESSENCE BIOSCIENCES, INC. (US) 2005-11-24 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 (10 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-20240150452-A1 MULTIFUNCTIONAL PROTEIN MOLECULES COMPRISING DECORIN AND USE THEREOF CD2BP2, DSTN, SDCBP ALDH1A1 3337/4885KDM4E 4354/4885LMNA 2473/4885
US-11879009-B2 Multifunctional protein molecules comprising decorin and use thereof CD2BP2, DSTN, SDCBP ALDH1A1 3337/4885KDM4E 4354/4885LMNA 2473/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 4447/4885KDM4E 2643/4885LMNA 3609/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 ALDH1A1 4447/4885KDM4E 2643/4885LMNA 3609/4885
US-20090010878-A1 Pulsatile dosing of gossypol for treatment of disease BCL2, BAX, PHLPP2 ALDH1A1 4787/4885KDM4E 2940/4885LMNA 1515/4885
US-20240083868-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 4447/4885KDM4E 2643/4885LMNA 3609/4885
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins XIAP, BIRC5, BIRC3 ALDH1A1 2921/4885KDM4E 3013/4885LMNA 421/4885
US-20080253997-A1 COMPOSITIONS AND METHODS FOR PROTECTING CELLS FROM TOXIC EXPOSURES PRDX5, GPX1, GPX4 ALDH1A1 267/4885KDM4E 4065/4885LMNA 261/4885
US-20090082295-A1 COMBINATIONS AND METHODS OF USING AN IMMUNOMODULATORY OLIGODEOXYNUCLEOTIDE DCLRE1B, TLR3, CD74 ALDH1A1 2928/4885KDM4E 2818/4885LMNA 3502/4885
US-20050261232-A1 Non-natural ribonuclease conjugates as cytotoxic agents RNASE1, RNASEL, RNASEH1 ALDH1A1 2489/4885KDM4E 3074/4885LMNA 1945/4885

“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.