SCHEMBL21079240

SCHEMBL21079240

CCOC(=O)c1ccc(OC(C)C)c(OCCN(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B2 P37059 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.44
PHLPP2 Q6ZVD8 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTPN1 P18031 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL3143544 0.86 HSD17B2 (0.58) ALDH1A1KDM4EMAPTMAPK1HSD17B2
SCHEMBL7093941 0.86 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1HSD17B2TDP1
SCHEMBL21079236 0.85 KDM4E (0.65) ALDH1A1KDM4EMAPK1TDP1TSHR
SCHEMBL5071192 0.82 CA12 (0.57) ALDH1A1KDM4EMAPTHSD17B2PHLPP2
Hydrochloric Acid SCHEMBL3148404 0.81 HSD17B2 (0.62) ALDH1A1KDM4EMAPTHSD17B2PHLPP2
SCHEMBL7684319 0.80 MAPT (0.77) ALDH1A1KDM4EMAPTMAPK1HSD17B2
SCHEMBL23876967 0.78 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL24079256 0.77 KDM4E (0.57) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL16605589 0.77 MAPT (0.57) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL6066458 0.77 F10 (0.53) ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 ALDH1A1 2418/4885KDM4E 3986/4885MAPT 428/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 ALDH1A1 2418/4885KDM4E 3986/4885MAPT 428/4885

“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.