SCHEMBL12414870

SCHEMBL12414870

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
LMNA P02545 2/20 0.32
PRKCA P17252 2/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
TSHR P16473 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
SCHEMBL6892838 0.85 CTSK (0.36) CTSKALDH1A1MAPTTSHR
SCHEMBL28169563 0.85 LMNA (0.46) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL12116834 0.82 FAAH (0.51) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL17467181 0.82 FAAH (0.51) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL6894385 0.80 ADORA3 (0.40) CTSKFAAHALDH1A1MAPTHPGD
SCHEMBL12414955 0.78 MMP1 (0.34) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL6894739 0.75 NR1I2 (0.40) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL6896864 0.74 ALDH1A1 (0.44) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL12116842 0.74 ALDH1A1 (0.44) FAAHALDH1A1MAPTHPGDCNR1
SCHEMBL3806654 0.74 EPHX2 (0.41) ALDH1A1TAS1R3TAS1R1LMNATSHR

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 CTSK 4290/4885FAAH 565/4885ALDH1A1 599/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CTSK 4290/4885FAAH 565/4885ALDH1A1 599/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CTSK 2095/4885FAAH 210/4885ALDH1A1 307/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CTSK 1006/4885FAAH 203/4885ALDH1A1 1082/4885

“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.