SCHEMBL22830633

SCHEMBL22830633

COc1cccc(C2(c3ccc(O)cc3)CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.58
ESR2 Q92731 4/20 0.58
KDM1A O60341 1/20 0.48
SLC6A4 P31645 9/20 0.45
SLC6A2 P23975 7/20 0.45
SLC22A1 O15245 3/20 0.45
OPRM1 P35372 3/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL12893333 0.98 ESR1 (0.59) ESR1ESR2KDM1ASLC6A4SLC6A2
SCHEMBL12893212 0.88 KDM1A (0.50) KDM1ASLC6A4SLC6A2SLC22A1OPRM1
SCHEMBL1255410 0.83 GRIN2B (0.44) KDM1ASLC6A4SLC6A2SLC22A1OPRM1
SCHEMBL12893340 0.83 GRIN2B (0.44) KDM1ASLC6A4SLC6A2SLC22A1OPRM1
SCHEMBL8760127 0.82 ESR2 (0.71) ESR1ESR2SLC6A4SLC6A3
SCHEMBL27363396 0.79 SLC6A4 (0.43) ESR1ESR2KDM1ASLC6A4SLC6A2
SCHEMBL12893173 0.79 ESR1 (0.71) ESR1ESR2SLC6A4SLC22A1OPRM1
SCHEMBL6598136 0.79 SIGMAR1 (0.51) OPRM1OPRD1OPRK1
SCHEMBL14531882 0.78 ESR1 (0.65) ESR1ESR2OPRM1OPRD1OPRK1
SCHEMBL12893176 0.78 ESR1 (0.65) ESR1ESR2

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-12161630-B2 Methods to control infection using new generation small molecule growth inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2024-12-10 US disclosed
US-20230094112-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS OHIO STATE INNOVATION FOUNDATION 2023-03-30 US disclosed
US-11478454-B2 Methods to control infection using new generation small molecule growth inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2022-10-25 US disclosed
US-20200405691-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS OHIO STATE INNOVATION FOUNDATION 2020-12-31 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 (4 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-11478454-B2 Methods to control infection using new generation small molecule growth inhibitors SMURF1, SMURF2, SMYD3 ESR1 4611/4885ESR2 4540/4885KDM1A 1837/4885
US-20230094112-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS SMURF1, SMURF2, SMYD3 ESR1 4626/4885ESR2 4540/4885KDM1A 1922/4885
US-12161630-B2 Methods to control infection using new generation small molecule growth inhibitors SMURF1, SMURF2, SMYD3 ESR1 4611/4885ESR2 4540/4885KDM1A 1837/4885
US-20200405691-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS SMURF1, SMURF2, SMYD3 ESR1 4611/4885ESR2 4540/4885KDM1A 1837/4885

“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.