SCHEMBL22800304

SCHEMBL22800304

C=CCCOc1ccnc(-c2ccccc2C(=O)OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ ERN1 O75460 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ JMJD6 Q6NYC1 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL22800284 0.86 SLC6A3 (0.43) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL22800302 0.85 KDM4C (0.45) TSHRKDM4ESMN1; SMN2ALDH1A1KDM4C
SCHEMBL22800285 0.82 ALDH1A1 (0.48) KDM4EALDH1A1KDM4CMEN1KMT2A
SCHEMBL15528629 0.77 KDM4E (0.65) TSHRKDM4ETBXAS1SMN1; SMN2ALDH1A1
SCHEMBL7643679 0.74 TSHR (0.59) TSHRERN1KDM4EHTTTBXAS1
SCHEMBL22800303 0.73 FNTA (0.35) KDM4EALDH1A1KDM4C
SCHEMBL22800178 0.73 SLC6A3 (0.52) KDM4EHPGDMAPTTDP1
SCHEMBL8606181 0.72 PTPN11 (0.50) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL28931844 0.71 TSHR (0.54) TSHRERN1KDM4EHTTTBXAS1
SCHEMBL22799654 0.71 SLC6A3 (0.41) KDM4EALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 TSHR 4556/4885ERN1 857/4885KDM4E 1957/4885

“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.

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