SCHEMBL21159511

SCHEMBL21159511

CCOC(=O)/C(F)=C\C1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
GLO1 Q04760 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 5/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10945612 0.80 NPSR1 (0.50) NPSR1GLO1MAPTGAAALDH1A1
SCHEMBL28585644 0.78 GLO1 (0.44) NPSR1GLO1MAPTGAAALDH1A1
SCHEMBL9421764 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27271993 0.77 ALOX15 (0.41) NPSR1GLO1MAPTGAAALDH1A1
SCHEMBL30072793 0.77 NPSR1 (0.38) NPSR1GLO1MAPTGAAALDH1A1
SCHEMBL10932518 0.77 NPSR1 (0.38) NPSR1GLO1MAPTGAAALDH1A1
SCHEMBL9421766 0.77 LMNA (0.36) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL27154179 0.75 SLC6A2 (0.39)
SCHEMBL3439196 0.74
SCHEMBL265509 0.74

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
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 NPSR1 1700/4885GLO1 3864/4885MAPT 4588/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 NPSR1 1700/4885GLO1 3864/4885MAPT 4588/4885

“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.