SCHEMBL1121444

SCHEMBL1121444

CC(C)Oc1cc(C=O)cc(OC(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.63
ALDH1A1 P00352 3/20 0.38
ERN1 O75460 1/20 0.37
TYR P14679 1/20 0.37
CYP2A6 P11509 1/20 0.37
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL12037831 0.95 ALDH1A3 (0.63) ALDH1A3ALDH1A1ERN1TYRCYP2A6
SCHEMBL22779349 0.92 ALDH1A3 (0.55) ALDH1A3ALDH1A1ERN1CYP2A6KMT2A
SCHEMBL1849203 0.89 ALDH1A3 (0.52) ALDH1A3ALDH1A1ERN1TYRCYP2A6
SCHEMBL14018645 0.88 ALDH1A3 (0.55) ALDH1A3ALDH1A1ERN1TYRCYP2A6
SCHEMBL1748564 0.88 ALDH1A3 (0.55) ALDH1A3ALDH1A1ERN1TYRKMT2A
SCHEMBL5882247 0.87 ALDH1A3 (0.50) ALDH1A3ALDH1A1KDM4EPPARGPPARD
SCHEMBL12038129 0.86 ALDH1A3 (0.53) ALDH1A3ALDH1A1ERN1TYRCYP2A6
SCHEMBL19787919 0.86 ALDH1A3 (0.49) ALDH1A3ALDH1A1ERN1KMT2APARP10
SCHEMBL22090084 0.86 ALDH1A3 (0.49) ALDH1A3ALDH1A1ERN1CHRNB2CHRNA4
SCHEMBL30986200 0.86 ALDH1A3 (0.49) ALDH1A3ALDH1A1ERN1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
CN-110577464-A Preparation method of resveratrol 山东博奥克生物科技有限公司 2019-12-17 CN disclosed
CN-103664537-B Preparation method for resveratrol HUNAN KEYUAN BIO PRODUCTS CO LTD 2015-06-24 CN disclosed
CN-104447218-A Method for preparing resveratrol and derivative of resveratrol UNIV GUANGXI NATIONALITIES 2015-03-25 CN disclosed
CN-103664537-A Preparation method for resveratrol HUNAN KEYUAN BIO PRODUCTS CO LTD 2014-03-26 CN disclosed
CN-102617302-A Process for synthesizing trimethoxyphenyl stilbene SECOND PHARMA CO LTD 2012-08-01 CN disclosed
CN-101506165-B Phenyl, pyridine and quinoline derivatives HOFFMANN LA ROCHE 2012-07-04 CN disclosed
US-8026365-B2 4,4-disubstituted piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-8026365-B2 4,4-disubstituted piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-8026365-B2 4,4-disubstituted piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
US-4064254-A ANTIARRHYTHMIC AND ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1977-12-20 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 (1 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-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A3 4445/4885ALDH1A1 2850/4885ERN1 1281/4885

“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.