SCHEMBL7036685

SCHEMBL7036685

CCOC(=O)c1sc(Cc2ccccc2)c2c1CCC(C(OCC)OCC)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
CDC7 O00311 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 4/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL7041221 0.82 ADORA2A (0.42) ADORA2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7241569 0.82 MEN1 (0.39) ADORA2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7248984 0.81 NPSR1 (0.44) ADORA2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7244214 0.80 MEN1 (0.38) ADORA2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7036916 0.78 ADORA2A (0.69) ADORA2AALDH1A1MAPK1MEN1KMT2A
SCHEMBL7249110 0.78 ADORA2A (0.39) ADORA2AMEN1KMT2ANPSR1MAPT
SCHEMBL7041807 0.77 NPSR1 (0.60) ADORA2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7246718 0.75 MEN1 (0.46) ADORA2AALDH1A1MEN1KMT2ANPSR1
SCHEMBL7251146 0.72 ALDH1A1 (0.38) ALDH1A1TP53MAPK1MEN1KMT2A
SCHEMBL7244964 0.70 ADORA2A (0.33) ADORA2AALDH1A1MEN1KMT2AMAPT

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
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 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 (2 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 ADORA2A 1960/4885ALDH1A1 3155/4885TP53 2541/4885
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR ADORA2A 1243/4885ALDH1A1 327/4885TP53 1170/4885

“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.