SCHEMBL18535441

SCHEMBL18535441

C=CC(=O)OC(C)(C)CC(C)(C)Oc1ccc2cc(-c3ccc(CC)cc3CC)c(=S)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.34
SRD5A1 P18405 1/20 0.33
THRB P10828 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CA12 O43570 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
USP2 O75604 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL18535452 0.90 MAOB (0.40) MAOBSRD5A1KDM4EGLAGAA
SCHEMBL23395688 0.81 THRB (0.44) MAOBSRD5A1THRBS1PR1KMT2A
SCHEMBL26855347 0.81 THRB (0.33) THRB
SCHEMBL21116071 0.80 STS (0.39) MAOBSRD5A1KDM4EGLAGAA
SCHEMBL18583382 0.80 STS (0.40) MAOBSRD5A1KDM4EGLAGAA
SCHEMBL22595318 0.78 CYP3A4 (0.37) MAOBSRD5A1KDM4EGLAGAA
SCHEMBL23713467 0.78 CA12 (0.35) MAOBSRD5A1KDM4EGLAGAA
SCHEMBL18535661 0.78 RAB9A (0.41) MAOBSRD5A1KDM4EGLAGAA
SCHEMBL24595654 0.77 RXFP1 (0.38) MAOBTHRBKDM4EGLAGAA
SCHEMBL18583378 0.76 THRB (0.42) MAOBSRD5A1THRBKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
EP-3133065-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 EP 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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A MAOB 212/4885SRD5A1 2461/4885THRB 4122/4885

“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.