SCHEMBL14899320

SCHEMBL14899320

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 10/20 0.47
MAPT P10636 5/20 0.47
CYP19A1 P11511 4/20 0.47
PPARG P37231 3/20 0.47
OXER1 Q8TDS5 3/20 0.47
RXRA P19793 2/20 0.47
FFAR1 O14842 2/20 0.47
ADORA3 P0DMS8 3/20 0.43
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
PGR P06401 2/20 0.43
PDE4D Q08499 2/20 0.43
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40

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
SCHEMBL28332773 0.88 LMNA (0.55) LMNAALDH1A1MAPTADORA3PGR
SCHEMBL6897010 0.86 ALDH1A1 (0.46) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL12116747 0.86 ALDH1A1 (0.46) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL12615033 0.85 LMNA (0.62) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL23754250 0.85 LMNA (0.62) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL6896864 0.85 ALDH1A1 (0.44) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL12116842 0.85 ALDH1A1 (0.44) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL25518100 0.84 ADORA3 (0.66) LMNAALDH1A1MAPTCYP19A1PPARG
SCHEMBL27844940 0.83 LMNA (0.48) LMNAALDH1A1MAPTPPARGADORA3
SCHEMBL27619525 0.82 LMNA (0.44) LMNAALDH1A1MAPTADORA3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 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-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 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 (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-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE LMNA 1349/4885ALDH1A1 599/4885MAPT 165/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 LMNA 2731/4885ALDH1A1 172/4885MAPT 3806/4885

“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.