SCHEMBL707791

SCHEMBL707791

CCOP(=O)(CC)OCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
FDPS P14324 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
PARP10 Q53GL7 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
KCNA5 P22460 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9111289 0.85 TSHR (0.44) TSHRFDPSLMNAALDH1A1KDM4E
SCHEMBL9375835 0.82 FDPS (0.47) FDPSSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL992724 0.82 ALDH1A1 (0.53) FDPSALDH1A1HPGDKCNA5HSD17B10
SCHEMBL2955427 0.79 HRH3 (0.49) TSHRFDPSLMNAALDH1A1KDM4E
SCHEMBL18235430 0.79 ALDH1A1 (0.50) FDPSSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14260472 0.77 CHRM2 (0.51) SMN1; SMN2RAB9ALMNAALDH1A1HPGD
Diethyl Hydrogen Phosphate SCHEMBL4953245 0.76 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1KDM4EHPGD
Diethyl Hydrogen Phosphate SCHEMBL27670895 0.76 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1238316 0.75 TSHR (0.56) TSHRLMNAALDH1A1
SCHEMBL9338333 0.74 LMNA (0.47) TSHRFDPSLMNAALDH1A1KDM4E

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-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB TSHR 3457/4885FDPS 3855/4885SMN1; SMN2 1814/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 TSHR 3679/4885FDPS 4052/4885SMN1; SMN2 1978/4885

“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.