SCHEMBL5698477

SCHEMBL5698477

CC(C)(C)C1CC=C(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CES2 O00748 2/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL6740150 0.86 LMNA (0.35) LMNACES2
SCHEMBL6740159 0.86 LMNA (0.35) LMNACES2
SCHEMBL6740141 0.80 LMNA (0.35) LMNACES2
SCHEMBL13985486 0.77 LMNA (0.41) LMNACES2MEN1KMT2ACYP3A4
SCHEMBL31545085 0.76 LMNA (0.70) LMNACES2MEN1KMT2ACYP3A4
SCHEMBL9706627 0.74 LMNA (0.47) LMNACES2MEN1KMT2ACYP3A4
SCHEMBL4402841 0.74 LMNA (0.42) LMNACES2MEN1KMT2ACYP3A4
SCHEMBL6435607 0.74 LMNA (0.42) LMNACES2MEN1KMT2ACYP3A4
SCHEMBL13782375 0.74 LMNA (0.42) LMNACES2MEN1KMT2ACYP3A4
SCHEMBL4440899 0.74 LMNA (0.42) LMNACES2MEN1KMT2ACYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
EP-1275631-B1 Fluorination with aminosulfur trifluorides AIR PROD & CHEM (US) 2006-07-19 EP disclosed
US-6686509-B2 Process for producing α, α-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2004-02-03 US disclosed
US-20030078460-A1 Process for producing alpha, alpha-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
EP-1275631-A2 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-15 EP disclosed
EP-0908448-B1 Thermally stable aminosulfur trifluorides AIR PROD & CHEM (US) 2001-11-14 EP disclosed
US-6242645-B1 BIOLOGICAL ACTIVITY ENHANCER, DEOXOFLUORINATION AGENT OF INTEREST IN MEDICINAL AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. 2001-06-05 US disclosed
US-6222064-B1 PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND AIR PRODUCTS AND CHEMICALS, INC. 2001-04-24 US disclosed
US-6207860-B1 FLUORINATING AGENTS, FAR LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT, USEFUL FOR DEOXOFLUORINATION OF ALCOHOLS AND KETONES, AIR PRODUCTS AND CHEMICALS, INC. 2001-03-27 US disclosed
US-6080886-A STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-06-27 US disclosed
EP-0908448-A1 Thermally stable aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-04-14 EP disclosed
EP-0905109-A1 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-03-31 EP disclosed
US-4212815-A REACTING A KETONE WITH AN N,N-DISUBSTITUTED AMINOSULFUR TRIFLUORIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-15 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 LMNA 1174/4885CES2 62/4885MEN1 2302/4885
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A LMNA 4145/4885CES2 15/4885MEN1 4591/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 LMNA 1174/4885CES2 62/4885MEN1 2302/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 LMNA 1174/4885CES2 62/4885MEN1 2302/4885

“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.