SCHEMBL19006513

SCHEMBL19006513

COC(=O)CCc1ccc(C)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ACHE P22303 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEP1B Q16820 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
SCHEMBL22867617 0.88 CYP4F2 (0.51) NPC1RAB9AACHEALDH1A1KMT2A
SCHEMBL22067295 0.85 POLB (0.54) NPC1RAB9AACHE
SCHEMBL435484 0.84 F2 (0.49) KMT2A
SCHEMBL585472 0.84 APLNR (0.56) NPC1RAB9AALDH1A1KMT2A
SCHEMBL16172631 0.84 ACHE (0.48) NPC1RAB9AACHEALDH1A1L3MBTL1
SCHEMBL14394936 0.83 MEN1 (0.47) MAPTHSD17B10ACHEALDH1A1KMT2A
SCHEMBL6498578 0.83 KMT2A (0.46) MAPTHSD17B10NPC1RAB9AALDH1A1
SCHEMBL1531406 0.83 GAA (0.57) MAPTNPC1RAB9APDE3BPDE3A
SCHEMBL20561977 0.83 EGFR (0.46) MAPTPDE4DALDH1A1KMT2AL3MBTL1
SCHEMBL18982265 0.83 PDE4D (0.43) MAPTHSD17B10PDE3BPDE3APDE4D

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
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A MAPT 4757/4885HSD17B10 4104/4885NPC1 2748/4885

“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.