SCHEMBL3086005

SCHEMBL3086005

[CH2]C(CC)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
PNMT P11086 1/20 0.41
ACP3 P15309 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL16956482 0.84 OPRM1 (0.44) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL185559 0.81 PNMT (0.41) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL16954110 0.81 OPRM1 (0.49) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL16951935 0.81 ACP3 (0.46) AOC3PNMTACP3LMNATSHR
SCHEMBL16771227 0.81 ACP3 (0.46) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL12735693 0.81 AOC3 (0.45) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL16952840 0.81 ACP3 (0.42) AOC3PNMTACP3LMNATSHR
SCHEMBL28058440 0.80 OPRM1 (0.47) AOC3OPRM1OPRD1OPRK1OPRL1
SCHEMBL16961048 0.80 SLC6A2 (0.42) AOC3ACP3LMNATSHRMAPK1
SCHEMBL16953337 0.79 ACP3 (0.41) AOC3PNMTACP3LMNATSHR

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-4053478-A ARTERIOSCLEROSIS, THROMBOSIS, HYPERTENSION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-10-11 US disclosed
US-4012412-A USEFUL IN THE TREATMENT OF HYPERTENSION, ARTERIOSCLEROSIS, AND THROMBOSIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-03-15 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-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 AOC3 9/4885OPRM1 2003/4885OPRD1 3248/4885

“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.