SCHEMBL2991009

SCHEMBL2991009

CCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
PTGS2 P35354 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
DBH P09172 1/20 0.53
RECQL P46063 1/20 0.53
XDH P47989 1/20 0.53

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
SCHEMBL30389755 1.00 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL27907766 1.00 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL28732226 0.83 HSP90AB1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL27564987 0.83 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2856590 0.83 HTT (0.68) CA12CA1CA2CA7CA9
SCHEMBL5186624 0.83 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL5681582 0.83 HSD17B3 (0.62) CA12CA1CA2CA7CA9
SCHEMBL7049792 0.83 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL12709966 0.82 ESR1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL11884043 0.82 ALDH1A1 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200205541-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2020-07-02 US claimed
CN-109438262-A The preparation method of isoprenaline hydrochloride 山东潍坊幸福药业有限公司 2019-03-08 CN claimed
CN-107011188-A A kind of preparation method of isoprenaline hydrochloride 山东科源制药股份有限公司 2017-08-04 CN claimed
US-20130298933-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2013-11-14 US claimed
US-20100300472-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL S.A. (FR) 2010-12-02 US claimed
CN-100473650-C Method for preparing dihydro safrole ZHONGSHAN AESTAR FINE CHEMICAL (CN) 2009-04-01 CN claimed
US-20080255228-A1 Ascorbic Acid Complexes for Skin Care Including Treatment of Dark Skin & Wrinkles BIODERM RESEARCH (US) 2008-10-16 US claimed
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US claimed
US-7427690-B2 Multifunction “crown complexes” from amino acids and peptides for skin and hair restoration BIODERM RESEARCH (US) 2008-09-23 US claimed
US-20070099886-A1 Multifunction \"Crown Complexes\" from Amino Acids and Peptides for Skin and Hair Restoration BIODERM RESEARCH (US) 2007-05-03 US claimed
CN-1850819-A Method for preparing dihydro safrole KAIDA FINE CHEMICAL CO LTD ZHO (CN) 2006-10-25 CN claimed
US-20060074108-A1 Matrix metalloprotease (MMP) inhibitors and their application in cosmetic and pharmaceutical composition BIODERM RESEARCH (US) 2006-04-06 US claimed
US-20050271608-A1 Skin whitening compositions based on hydroxyaryl alkyl ketones and their isosteric derivatives GUPTA SHYAM K 2005-12-08 US claimed
JP-60197644-A None JP disclosed
JP-57156294-A None JP disclosed
CN-117919217-A Pharmaceutical composition for treating parkinsonism and preparation method thereof 浙江华海药业股份有限公司 2024-04-26 CN disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed
JP-S57156294-A HEAT-SENSITIVE RECORDING MATERIAL RICOH CO LTD 1982-09-27 JP disclosed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 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 (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-20200205541-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND KRT18, TUBB4A, TUBB4B CA12 1543/4885CA1 2454/4885CA2 2393/4885
US-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA CA12 4776/4885CA1 4867/4885CA2 4627/4885
US-20080255228-A1 Ascorbic Acid Complexes for Skin Care Including Treatment of Dark Skin & Wrinkles PROC, COL1A1, CUTA CA12 4408/4885CA1 4577/4885CA2 1976/4885
US-20100300472-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND KRT18, TUBB4A, TUBB4B CA12 1543/4885CA1 2454/4885CA2 2393/4885

“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.