SCHEMBL14520293

SCHEMBL14520293

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.71
NR1I2 O75469 1/20 0.71
PGR P06401 1/20 0.71
PTGS2 P35354 1/20 0.71
PDE4D Q08499 1/20 0.71
FAAH O00519 4/20 0.70
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
DGKA P23743 1/20 0.57
F7 P08709 1/20 0.56
CYP19A1 P11511 1/20 0.56
F3 P13726 1/20 0.56
RXRA P19793 1/20 0.56
PTGS1 P23219 1/20 0.56
PPARG P37231 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL18237104 0.94 ADORA3 (0.64) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL14079473 0.94 ADORA3 (0.64) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL10037041 0.94 ADORA3 (0.68) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL3195987 0.94 ALDH1A1 (0.73) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL9905949 0.93 FAAH (0.82) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL15451530 0.93 FAAH (0.82) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL31493299 0.93 ALDH1A1 (0.67) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL9905962 0.91 ADORA3 (0.64) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL19676635 0.90 FAAH (0.74) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL30733166 0.90 FAAH (0.74) ADORA3NR1I2PGRPTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335140-B1 SYSTEMS, APPARATUS, AND METHODS FOR ANALYZING AND PREDICTING CELLULAR PATHWAYS MASSACHUSETTS INST TECHNOLOGY (US) 2025-02-19 EP disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 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 (1 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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 ADORA3 112/4885NR1I2 798/4885PGR 2964/4885

“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.