SCHEMBL12414955

SCHEMBL12414955

CCC/C=C\CC(=O)OC(C(=O)OCC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
FAAH O00519 3/20 0.33
ABCB1 P08183 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 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
SCHEMBL6894739 0.96 NR1I2 (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6895336 0.87 NR1I2 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17467183 0.85 NR1I2 (0.48) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12116924 0.85 NR1I2 (0.48) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6894775 0.83 ADORA3 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL10087783 0.81 NR1I2 (0.55) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12438067 0.81 NR1I2 (0.55) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12116950 0.79 ADORA3 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12414870 0.78 CTSK (0.37) FAAHALDH1A1TSHRPRKCEPRKCQ
SCHEMBL28169563 0.78 LMNA (0.46) PGRADORA3PDE4DFAAHALDH1A1

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-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 US disclosed
US-20140221653-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 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 (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-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE MMP1 4383/4885MMP2 3284/4885MMP3 4472/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB MMP1 3243/4885MMP2 1843/4885MMP3 2019/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 MMP1 551/4885MMP2 1550/4885MMP3 1775/4885

“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.