SCHEMBL1000330

SCHEMBL1000330

c1cc(CC2CC2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.61
CYP11B2 P19099 1/20 0.50
TRPA1 O75762 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8293176 0.91 CYP19A1 (0.57) CYP19A1CYP11B2TRPA1
SCHEMBL4864390 0.91 CYP19A1 (0.57) CYP19A1CYP11B2TRPA1LOXL2GBA1
SCHEMBL16612734 0.89 CYP19A1 (0.52) CYP19A1CYP11B2TRPA1LOXL2ALDH1A1
SCHEMBL14174294 0.89 CYP19A1 (0.52) CYP19A1CYP11B2TRPA1ALDH1A1
SCHEMBL8910496 0.89 CYP19A1 (0.55) CYP19A1CYP11B2TRPA1
SCHEMBL803096 0.86 CYP19A1 (0.49) CYP19A1CYP11B2TRPA1ALDH1A1
SCHEMBL2109582 0.85 GBA1 (0.66) CYP19A1CYP11B2GBA1CYP2D6
SCHEMBL8890474 0.84 CYP19A1 (0.52) CYP19A1CYP11B2TRPA1ALDH1A1
SCHEMBL13681385 0.84 CYP19A1 (0.47) CYP19A1CYP11B2TRPA1ALDH1A1
Hydrochloric Acid SCHEMBL1550607 0.83 GBA1 (0.63) CYP19A1CYP11B2GBA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103517710-B For the compound of kinases regulation 普莱希科公司 2017-05-31 CN disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
EP-1644393-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 US disclosed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 US disclosed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US disclosed
US-5430155-A Viricides, treatment of AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-04 US disclosed
US-5294720-A Viricides THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-15 US disclosed
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP 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 (5 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN CYP19A1 4359/4885CYP11B2 4493/4885TRPA1 3306/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 CYP19A1 3032/4885CYP11B2 2798/4885TRPA1 2289/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 CYP19A1 4131/4885CYP11B2 3331/4885TRPA1 2199/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L CYP19A1 4441/4885CYP11B2 4249/4885TRPA1 3275/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP19A1 3584/4885CYP11B2 3827/4885TRPA1 848/4885

“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.