SCHEMBL6058686

SCHEMBL6058686

CCOC(=O)C1CCC(C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.41
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL26327611 0.86 PPM1B (0.44) MAPTALDH1A1KDM4EPOLBPPM1B
SCHEMBL19795515 0.85 RECQL (0.39) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL237380 0.84 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL2375356 0.84 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL8891623 0.84 MAPT (0.60) MAPTALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL4221 0.84
SCHEMBL8608076 0.83 ALDH1A1 (0.51) MAPTALDH1A1POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL30704780 0.83 MAPT (0.49) MAPTALDH1A1KDM4EPOLBPPM1B
SCHEMBL15443276 0.82 POLB (0.43) MAPTALDH1A1KDM4EPOLBMEN1
Hydrochloric Acid SCHEMBL28788727 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030283-B2 Process for producing 1,1-difluorovinyl cycloaliphatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-18 US claimed
US-20050165260-A1 Process for producing 1,1-difluorovinyl cycloaliphatic compounds VERSUM MATERIALS US, LLC 2005-07-28 US claimed
EP-1557404-A1 Process for producing 1,1-Difluorovinyl cycloaliphatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-07-27 EP claimed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-7030283-B2 Process for producing 1,1-difluorovinyl cycloaliphatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-18 US disclosed
US-20050165260-A1 Process for producing 1,1-difluorovinyl cycloaliphatic compounds VERSUM MATERIALS US, LLC 2005-07-28 US disclosed
EP-1557404-A1 Process for producing 1,1-Difluorovinyl cycloaliphatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-07-27 EP disclosed
US-5209868-A Liquid crystal medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-11 US disclosed
US-5175319-A Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 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 (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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP MAPT 6/4885ALDH1A1 2834/4885KDM4E 4048/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP MAPT 6/4885ALDH1A1 2834/4885KDM4E 4048/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP MAPT 6/4885ALDH1A1 2834/4885KDM4E 4048/4885
US-20050165260-A1 Process for producing 1,1-difluorovinyl cycloaliphatic compounds KMO, KCNB1, KCNB2 MAPT 2170/4885ALDH1A1 3682/4885KDM4E 896/4885

“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.