SCHEMBL1098076

SCHEMBL1098076

COc1ccc(CC[C@H](O)c2cccc(O)c2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.57
CALM1 P0DP23 1/20 0.54
OPRK1 P41145 1/20 0.54
ADRB2 P07550 4/20 0.53
ALDH1A1 P00352 2/20 0.52
ADRB1 P08588 2/20 0.52
TSHR P16473 2/20 0.52
NFKB1 P19838 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HIF1A Q16665 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SLC22A1 O15245 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ABCB1 P08183 1/20 0.46

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
SCHEMBL29803055 1.00 STAT3 (0.57) STAT3CALM1OPRK1ADRB2ALDH1A1
SCHEMBL22510018 1.00 STAT3 (0.57) STAT3CALM1OPRK1ADRB2ALDH1A1
SCHEMBL21643363 1.00 STAT3 (0.57) STAT3CALM1OPRK1ADRB2ALDH1A1
SCHEMBL25287579 0.87 STAT3 (0.61) STAT3ADRB2ALDH1A1ADRB1TSHR
SCHEMBL25287578 0.87 STAT3 (0.61) STAT3ADRB2ALDH1A1ADRB1TSHR
SCHEMBL29803018 0.86 OPRK1 (0.48) OPRK1ADRB2ADRB1TSHRNFKB1
SCHEMBL21643284 0.86 OPRK1 (0.48) OPRK1ADRB2ADRB1TSHRNFKB1
SCHEMBL12283339 0.86 STAT3 (0.57) STAT3ADRB2ALDH1A1ADRB1TSHR
SCHEMBL11111407 0.85 STAT3 (0.52) STAT3CALM1OPRK1ADRB2ALDH1A1
SCHEMBL7347001 0.84 ADRB2 (0.78) OPRK1ADRB2ALDH1A1ADRB1TSHR

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
US-11834463-B2 High affinity macrocyclic FKB51-inhibitors for treatment of psychiatric disorders Technische Universität Darmstadt (DE) 2023-12-05 US disclosed
US-11834463-B2 High affinity macrocyclic FKB51-inhibitors for treatment of psychiatric disorders Technische Universität Darmstadt (DE) 2023-12-05 US disclosed
US-20230212185-A1 HIGH AFFINITY MACROCYCLIC FKB51-INHIBITORS FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-07-06 US disclosed
US-20230212185-A1 HIGH AFFINITY MACROCYCLIC FKB51-INHIBITORS FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-07-06 US disclosed
US-8153785-B2 Stabilizing ligands for regulation of protein function Cheminpharma LLC (US) 2012-04-10 US disclosed
US-8153785-B2 Stabilizing ligands for regulation of protein function Cheminpharma LLC (US) 2012-04-10 US disclosed
US-8153785-B2 Stabilizing ligands for regulation of protein function Cheminpharma LLC (US) 2012-04-10 US disclosed
US-20100267950-A1 Novel Stabilizing Ligands For Regulation of Protein Function Cheminpharma LLC (US) 2010-10-21 US disclosed
US-20100267950-A1 Novel Stabilizing Ligands For Regulation of Protein Function Cheminpharma LLC (US) 2010-10-21 US disclosed
US-20100267950-A1 Novel Stabilizing Ligands For Regulation of Protein Function Cheminpharma LLC (US) 2010-10-21 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 (3 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-20100267950-A1 Novel Stabilizing Ligands For Regulation of Protein Function MRPL21, ASF1A, G3BP2 STAT3 1787/4885CALM1 1603/4885OPRK1 3331/4885
US-20230212185-A1 HIGH AFFINITY MACROCYCLIC FKB51-INHIBITORS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP1B, FKBP5, FKBP1A STAT3 4070/4885CALM1 438/4885OPRK1 174/4885
US-11834463-B2 High affinity macrocyclic FKB51-inhibitors for treatment of psychiatric disorders FKBP1B, FKBP5, FKBP1A STAT3 4070/4885CALM1 438/4885OPRK1 174/4885

“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.