SCHEMBL21597984

SCHEMBL21597984

O=C(O)[C@@H]1COC(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ CYP2D6 P10635 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ BLM P54132 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL1684009 0.85 EPHX1 (0.45) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL18058633 0.83 TSHR (0.36) TSHRCYP2D6MAPK1ALDH1A1KDM4E
SCHEMBL21597980 0.81 EDNRA (0.42) TSHRGAAALDH1A1KDM4EKMT2A
SCHEMBL15033568 0.80 KDM4E (0.46) CYP2D6MAPK1MAPTGAAALDH1A1
SCHEMBL21597981 0.79 HSD17B10 (0.55) TSHRMAPTGAAALDH1A1KDM4E
SCHEMBL1683663 0.79 CES2 (0.39) TSHRMAPK1MAPTGAAALDH1A1
SCHEMBL3478245 0.78 TSHR (0.37) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1683690 0.78 RIPK1 (0.43) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL27476577 0.76 ALDH1A1 (0.41) MAPTGAAALDH1A1KDM4EBLM
SCHEMBL1683621 0.76 PIN1 (0.42) ALDH1A1KMT2APOLBTDP1L3MBTL1

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-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 — — US disclosed
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 — — WO 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-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 TSHR 4440/4885CYP2D6 3653/4885MAPK1 1421/4885

“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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