SCHEMBL4428000

SCHEMBL4428000

CCCC=C/[C]=C/CCCC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.33
HMGCR P04035 4/20 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
SCHEMBL10418799 1.00 TSHR (0.35) TSHRALDH1A1PPARGHMGCR
SCHEMBL3389521 0.91 HMGCR (0.35) TSHRALDH1A1HMGCR
SCHEMBL3507931 0.88 FAAH (0.41) TSHRALDH1A1HMGCR
SCHEMBL3507928 0.88 FAAH (0.41) TSHRALDH1A1HMGCR
SCHEMBL3623172 0.88 FAAH (0.41) TSHRALDH1A1HMGCR
SCHEMBL27504901 0.87 PPARG (0.32) TSHRALDH1A1PPARG
SCHEMBL1035906 0.86 FAAH (0.45) PPARGHMGCR
SCHEMBL5521453 0.84 FAAH (0.46) TSHRPPARGHMGCR
SCHEMBL6880256 0.84 FAAH (0.46) TSHRPPARGHMGCR
SCHEMBL8374816 0.84 FAAH (0.46) TSHRPPARGHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102585-A1 BORONIC ACID ESTERS AND PHARMACEUTICAL FORMULATIONS THEREOF Ohio State Innovation Foundation (US) 2016-12-14 EP disclosed
EP-2033670-B1 Attachment device for medical purposes, in particular for attaching a reference geometry for navigation-assisted operations to a body, in particular to a bone BRAINLAB AG (DE) 2015-09-02 EP disclosed
WO-2015117136-A1 BORONIC ACID ESTERS AND PHARMACEUTICAL FORMULATIONS THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2015-08-06 WO disclosed
EP-2132179-A1 PROCESS FOR PREPARING ISOMERS OF CARMOTEROL Cipla Limited (IN) 2009-12-16 EP disclosed
EP-2033670-A1 Attachment device for medical purposes, in particular for attaching a reference geometry for navigation-assisted operations to a body, in particular to a bone BrainLAB AG (DE) 2009-03-11 EP disclosed
WO-2008104781-A1 PROCESS FOR PREPARING ISOMERS OF CARMOTEROL CIPLA LIMITED (IN) 2008-09-04 WO disclosed
US-20030224473-A1 Methods for screening for histone deacetylase activity and for identifying histone deacetylase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-04 US disclosed
EP-0560055-B1 Immuno-suppressing enepyranose derivatives ISHIHARA SANGYO KAISHA (JP) 2002-08-28 EP disclosed
US-5380834-A Side effect reduction ISHIHARA SANGYO KAISHA LTD. (JP) 1995-01-10 US disclosed
US-4624709-A REACTING WITH HYDROCARBON HALIDE-STORAGE STABILITY ORIENT CHEMICAL INDUSTRIE (JP) 1986-11-25 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 (1 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-20030224473-A1 Methods for screening for histone deacetylase activity and for identifying histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 TSHR 4269/4885ALDH1A1 987/4885PPARG 3985/4885

“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.