SCHEMBL10087783

SCHEMBL10087783

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.55
PGR P06401 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
PTGS2 P35354 1/20 0.55
PDE4D Q08499 1/20 0.55
ALDH1A1 P00352 3/20 0.52
FAAH O00519 3/20 0.52
CNR1 P21554 3/20 0.52
MAPT P10636 2/20 0.52
CNR2 P34972 2/20 0.52
HPGD P15428 1/20 0.52
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MGLL Q99685 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL12438067 1.00 NR1I2 (0.55) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12116924 0.96 NR1I2 (0.48) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL17467183 0.96 NR1I2 (0.48) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12438078 0.93 ALDH1A1 (0.61) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6896503 0.93 ALDH1A1 (0.61) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL10087784 0.90 ALDH1A1 (0.57) ALDH1A1FAAHCNR1MAPTCNR2
SCHEMBL12116936 0.90 ALDH1A1 (0.57) ALDH1A1FAAHCNR1MAPTCNR2
SCHEMBL18853734 0.90 ALDH1A1 (0.57) ALDH1A1FAAHCNR1MAPTCNR2
SCHEMBL12414973 0.89 FAAH (0.55) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12116948 0.89 FAAH (0.55) NR1I2PGRADORA3PTGS2PDE4D

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-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 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 (3 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L NR1I2 742/4885PGR 4309/4885ADORA3 4497/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L NR1I2 742/4885PGR 4309/4885ADORA3 4497/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 NR1I2 392/4885PGR 374/4885ADORA3 338/4885

“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.