SCHEMBL4591907

SCHEMBL4591907

C=CCC1(O)OC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
GPR55 Q9Y2T6 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
TYMS P04818 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL9280377 0.79 CFTR (0.49) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL9502317 0.77 SMN1; SMN2 (0.47) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL9975204 0.77 CFTR (0.46) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL9879489 0.77 CFTR (0.46) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL11848675 0.75 CFTR (0.47) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL11480489 0.72 ALPL (0.41) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL6271326 0.72 NPSR1 (0.49) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL21325292 0.72 NPSR1 (0.49) CFTRGOPCLMNAMAPTSMN1; SMN2
SCHEMBL29502553 0.72 NPSR1 (0.49) CFTRGOPCLMNAMAPTSMN1; SMN2
Acetic Acid SCHEMBL9529275 0.72 SMN1; SMN2 (0.47) CFTRGOPCLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55047679-A None JP disclosed
JP-55043025-A None JP disclosed
US-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-06-19 US disclosed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
EP-1900731-A1 N-(1-Phthalazin-1-yl-piperidin-4-yl)-amides as EP2-receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
WO-2008028689-A1 N-(1-PHTHALAZIN-1-YLPIPERIDIN-4-YL)AMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
JP-S5547679-A NOVEL 4-ALKYL-2-PYRIDYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-04-04 JP disclosed
JP-S5543025-A NOVEL 4-ALKYL-2-PHENYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-03-26 JP 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-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 CFTR 1161/4885GOPC 3468/4885LMNA 2361/4885
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 CFTR 202/4885GOPC 4291/4885LMNA 4575/4885

“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.