SCHEMBL6470937

SCHEMBL6470937

CCC(=O)N(CC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.53
OPRM1 P35372 4/20 0.49
SIGMAR1 Q99720 3/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL6908846 0.85 TP53 (0.54) ALDH1A1GLATSHRTP53OPRM1
SCHEMBL30268640 0.85 ALDH1A1 (0.52) ALDH1A1GLATSHRTP53OPRM1
SCHEMBL9716650 0.85 TP53 (0.74) ALDH1A1GLATSHRTP53LTB4R2
SCHEMBL6470863 0.85 ESR1 (0.41) ALDH1A1GLATSHRTP53LTB4R2
SCHEMBL2030599 0.84 ALDH1A1 (0.70) ALDH1A1GLATSHRTP53OPRM1
SCHEMBL28388854 0.84 ALDH1A1 (0.50) ALDH1A1GLATSHRTP53OPRM1
SCHEMBL31480004 0.84 ALDH1A1 (0.55) ALDH1A1GLATSHRTP53OPRM1
SCHEMBL6907477 0.83 ALDH1A1 (0.49) ALDH1A1GLATSHRTP53CYP3A4
Dl-Phenylalanine SCHEMBL20898600 0.83 SLC7A5 (0.58) ALDH1A1OPRM1SIGMAR1SMN1; SMN2MEN1
SCHEMBL6901552 0.82 SMN1; SMN2 (0.60) ALDH1A1GLATSHRTP53OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12050228-B2 Automated sample quality assessment METABOLON, INC. (US) 2024-07-30 US claimed
US-20230233620-A1 HIGH-COMPLEXITY SYNTHETIC GUT BACTERIAL COMMUNITIES Kanvas Biosciences, Inc. 2023-07-27 US claimed
EP-4152959-A1 HIGH-COMPLEXITY SYNTHETIC GUT BACTERIAL COMMUNITIES Chan Zuckerberg Biohub, Inc. (US) 2023-03-29 EP claimed
US-20220233611-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-28 US claimed
EP-3965820-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY The Regents of the University of California (US) 2022-03-16 EP claimed
US-20220050090-A1 MASS SPECTROMETRY ASSAY METHOD FOR DETECTION AND QUANTITATION OF MICROBIOTA RELATED METABOLITES METABOLON, INC. 2022-02-17 US claimed
WO-2021237162-A1 HIGH-COMPLEXITY SYNTHETIC GUT BACTERIAL COMMUNITIES CHAN ZUCKERBERG BIOHUB, INC. (US) 2021-11-25 WO claimed
US-20210353611-A1 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-11-18 US claimed
EP-3852759-A2 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS Yeda Research and Development Co. Ltd (IL) 2021-07-28 EP claimed
EP-3850359-A1 MASS SPECTROMETRY ASSAY METHOD FOR DETECTION AND QUANTITATION OF MICROBIOTA-RELATED METABOLITES Metabolon Inc. (US) 2021-07-21 EP claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
US-20150065366-A1 Biomarkers for Bladder Cancer and Methods Using the Same METABOLON, INC. 2015-03-05 US claimed
EP-2776832-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2014-09-17 EP claimed
WO-2013070839-A1 BIOMARKERS FOR BLADDER CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2013-05-16 WO claimed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US claimed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 WO claimed
US-6824786-B2 TOPICAL APPLYING COSMETIC YU RUEY J (US) 2004-11-30 US claimed
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
US-20030108496-A1 Compositions comprising phenyl-glycine derivatives YU RUEY J (US) 2003-06-12 US claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed

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-20030108496-A1 Compositions comprising phenyl-glycine derivatives GRHPR, ARL1, SUCLG1 ALDH1A1 1110/4885GLA 61/4885TSHR 3740/4885
US-20210353611-A1 METHODS OF TREATING AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, OAT ALDH1A1 665/4885GLA 348/4885TSHR 4408/4885

“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.