SCHEMBL23218141

SCHEMBL23218141

CCOC(=O)Cc1ccc(OC)cc1OCc1c(CCO)oc2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 7/20 0.38
MTNR1B P49286 6/20 0.37
MTNR1A P48039 6/20 0.37
SLC22A12 Q96S37 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23218934 0.94 TSHR (0.40) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL29592393 0.94 TSHR (0.40) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL29852502 0.94 TSHR (0.40) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL29852992 0.93 TSHR (0.41) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL23218923 0.93 TSHR (0.41) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL23218933 0.92 TSHR (0.39) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL29852990 0.92 TSHR (0.39) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL23218184 0.92 SLC22A12 (0.42) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL29852784 0.92 SLC22A12 (0.42) TSHRMAPTKDM4EMTNR1BMTNR1A
SCHEMBL23218119 0.88 TSHR (0.47) TSHRMAPTKDM4EMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 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-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 TSHR 847/4885MAPT 234/4885KDM4E 1720/4885

“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.