SCHEMBL1417675

SCHEMBL1417675

COC(=O)C1(CO)CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP2C19 P33261 6/20 0.36
CYP3A4 P08684 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 3/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
METAP2 P50579 1/20 0.31

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
SCHEMBL4811675 0.86 MAPT (0.41) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL2648433 0.84 CYP2C19 (0.36) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL28084348 0.84 NPSR1 (0.38) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL7626939 0.83 CYP2C19 (0.36) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL9079831 0.80 CYP2C19 (0.34) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL8468255 0.80 CYP2C19 (0.34) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL9732373 0.80 CYP2C19 (0.34) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL31369191 0.79 CYP4F2 (0.36) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL14799327 0.79 CYP2C19 (0.33) CYP4F2CYP4A11CYP2C19CYP3A4NPSR1
SCHEMBL29168788 0.79 SIRT2 (0.40) CYP4F2CYP4A11CYP2C19CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298783-B1 Anti-viral nucleoside analogs and methods for treating viral infections, especially hiv infections UNIV YALE (US) 2017-12-06 EP disclosed
CN-103596917-B The manufacture method of cyclopentanone compound and midbody compound 株式会社吴羽 2016-08-17 CN disclosed
US-9126971-B2 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY (US) 2015-09-08 US disclosed
CN-104540818-A Method for producing cycloalkanol derivative, and method for producing azole derivative KUREHA CORP 2015-04-22 CN disclosed
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8193165-B2 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY (US) 2012-06-05 US disclosed
CN-102174038-A Anti-viral nucleoside for treating viral infections UNIV YALE 2011-09-07 CN disclosed
CN-1777432-B Antiviral nucleoside analogs for HIV infection UNIV YALE 2011-06-08 CN disclosed
EP-2298783-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially hiv infections Yale University (US) 2011-03-23 EP disclosed
US-20100048500-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-7589078-B2 Using a dideoxy and didehydro nucleoside YALE UNIVERSITY (US) 2009-09-15 US disclosed
EP-1653976-A4 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS UNIV YALE (US) 2009-07-29 EP disclosed
CN-1777432-A Antiviral nucleoside analogs and methods for treating viral infections, particularly HIV infections UNIV YALE (US) 2006-05-24 CN disclosed
EP-1653976-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS YALE UNIVERSITY (US) 2006-05-10 EP disclosed
WO-2005011709-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS YALE UNIVERSITY (US) 2005-02-10 WO disclosed
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY 2004-08-26 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 (3 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-20100048500-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections TYMP, ITPA, SAMHD1 CYP4F2 3304/4885CYP4A11 2599/4885CYP2C19 1532/4885
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS TYMP, ITPA, SAMHD1 CYP4F2 3304/4885CYP4A11 2599/4885CYP2C19 1532/4885
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections CCR1, CCR4, CCR3 CYP4F2 1191/4885CYP4A11 340/4885CYP2C19 3548/4885

“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.