SCHEMBL5078552

SCHEMBL5078552

C=C(C)C(=O)OC.CC(O)COC(=O)/C=C/C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 5/20 0.44
HCAR2 Q8TDS4 11/20 0.42
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL28074131 0.84 TSHR (0.59) TSHRALDH1A1MAPTHSD17B10
SCHEMBL182314 0.84 HCAR2 (0.57) TSHRALDH1A1HCAR2MAPTGAA
SCHEMBL182315 0.84 HCAR2 (0.57) TSHRALDH1A1HCAR2MAPTGAA
SCHEMBL2808163 0.84 HCAR2 (0.57) TSHRALDH1A1HCAR2MAPTGAA
Ammonia Solution, Strong SCHEMBL28647186 0.82 HCAR2 (0.55) TSHRALDH1A1HCAR2MAPTGAA
SCHEMBL195021 0.82 TSHR (0.47) TSHRALDH1A1HCAR2MAPTKDM4E
SCHEMBL3914403 0.82 TSHR (0.47) TSHRALDH1A1HCAR2MAPTKDM4E
SCHEMBL11796011 0.82 TSHR (0.47) TSHRALDH1A1HCAR2MAPTKDM4E
Ethyl Fumarate SCHEMBL1066994 0.81 HCAR2 (0.67) TSHRALDH1A1HCAR2MAPTKDM4E
SCHEMBL28568205 0.81 ALDH1A1 (0.46) TSHRALDH1A1HCAR2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080286377-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2008-11-20 US disclosed
EP-1150684-A4 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INSTITUTEFOR C (US) 2005-06-15 EP disclosed
WO-2000047214-A9 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN KETTERING INST CANCER (US) 2002-04-11 WO disclosed
EP-1150684-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS Sloan-Kettering Institute For Cancer Research (US) 2001-11-07 EP disclosed
WO-2000047214-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-08-17 WO 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-20080286377-A1 ANTI-RESORPTIVE BONE CEMENTS AND ALLOGENEIC, AUTOGRAFIC, AND XENOGRAFIC BONE GRAFTS SOST, BMP6, BMP2 TSHR 4385/4885ALDH1A1 2819/4885HCAR2 950/4885

“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.