SCHEMBL97005

SCHEMBL97005

CC(C)(O)COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
KCNA3 P22001 1/20 0.46
ALOX15 P16050 1/20 0.45
CYP2D6 P10635 1/20 0.44
LTA4H P09960 2/20 0.43
PPARA Q07869 1/20 0.42
HTR1B P28222 2/20 0.42
HTR1D P28221 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
SSTR4 P31391 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL5949918 0.88 NQO1 (0.43) LTA4HSMN1; SMN2
SCHEMBL27276974 0.86 LMNA (0.47) LMNATAAR1ALDH1A1RECQLKCNA3
SCHEMBL27038347 0.85 LMNA (0.61) LMNALTA4HCYP2C19SMN1; SMN2
SCHEMBL11095913 0.84 LMNA (0.45) LMNATAAR1ALDH1A1RECQLKCNA3
SCHEMBL28463484 0.82 PPARA (0.60) LMNAALDH1A1PPARASMN1; SMN2
SCHEMBL677488 0.81 KCNA3 (0.50) LMNATAAR1ALDH1A1RECQLKCNA3
SCHEMBL4984322 0.81 KCNA3 (0.50) LMNATAAR1ALDH1A1RECQLKCNA3
SCHEMBL2200517 0.81 KCNA3 (0.50) LMNATAAR1ALDH1A1RECQLKCNA3
SCHEMBL7486997 0.81 ALDH1A1 (0.50) LMNATAAR1ALDH1A1RECQLKCNA3
SCHEMBL11285190 0.81 HDAC3 (0.42) LMNATAAR1ALDH1A1RECQLKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115155356-B Preparation method of hair loss preventing, hair strengthening and hair care cream 广州市发雅丝精细化工有限公司 2022-11-29 CN disclosed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN disclosed
WO-2014086712-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 WO disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5192785-A Sulfamates as antiglaucoma agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-09 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed
EP-0403185-A2 Compounds having one or more aminosulfonyloxy radicals useful as pharmaceuticals A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-19 EP disclosed
US-4639536-A Intermediate, its synthesis, and its use in a process for the preparation of 2,3-dihydro-2,2-dimethyl-7-hydroxybenzofuran UNION CARBIDE CORPORATION (US) 1987-01-27 US disclosed
US-4036862-A FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB LMNA 3740/4885TAAR1 3793/4885ALDH1A1 2948/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 LMNA 4860/4885TAAR1 2154/4885ALDH1A1 2458/4885

“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.