SCHEMBL14710274

SCHEMBL14710274

COP(=O)(OC)C(=O)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
SLC34A1 Q06495 1/20 0.30

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
SCHEMBL4610608 0.78 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11343993 0.78 ALDH1A1 (0.33) ALDH1A1TSHRTHPO
SCHEMBL4452182 0.77 ALDH1A1 (0.35) ALDH1A1TSHRTHPOCA2L3MBTL1
Dimethyl Acetylphosphonate SCHEMBL2459022 0.75
SCHEMBL7037854 0.74 CA4 (0.38) CA4CA1CA2
SCHEMBL15088191 0.74 ALDH1A1 (0.38) ALDH1A1CA1CA2L3MBTL1
SCHEMBL8295691 0.72 ALDH1A1 (0.32) ALDH1A1TSHRTHPO
SCHEMBL5020785 0.72 ALDH1A1 (0.36) ALDH1A1TSHRTHPO
SCHEMBL7449805 0.71 ALDH1A1 (0.33) ALDH1A1TSHRL3MBTL1
Acetone SCHEMBL28600700 0.69 LMNA (0.40) CA4ALDH1A1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (2 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CA4 2215/4885ALDH1A1 4135/4885TSHR 449/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS CA4 4549/4885ALDH1A1 1119/4885TSHR 4754/4885

“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.