SCHEMBL21079236

SCHEMBL21079236

CC(C)Oc1ccc(C(=O)O)cc1OCCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
MCHR1 Q99705 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
BRPF1 P55201 1/20 0.43
TSHR P16473 1/20 0.43
EP300 Q09472 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL21079240 0.85 ALDH1A1 (0.56) KDM4EALDH1A1TDP1NOX1THRA
SCHEMBL5972090 0.85 CA12 (0.63) ALDH1A1POLBMCHR1THRATHRB
SCHEMBL6621594 0.82 TSHR (0.66) KDM4EALDH1A1POLBMCHR1THRA
SCHEMBL7089045 0.81 TSHR (0.65) ALDH1A1TDP1POLBCASP6GAA
SCHEMBL3545163 0.81 KMT2A (0.58) KDM4EALDH1A1GAAMAPK1TSHR
SCHEMBL27195819 0.80 THRA (0.62) KDM4EALDH1A1TDP1THRATHRB
SCHEMBL25383828 0.79 HTR7 (0.54) KDM4EALDH1A1TDP1POLBCASP6
SCHEMBL3895668 0.79 TTR (0.54) KDM4EALDH1A1TDP1POLBCASP6
Hydrochloric Acid SCHEMBL5971867 0.79 HTT (0.55) KDM4EALDH1A1TDP1POLBCASP6
SCHEMBL24079256 0.79 KDM4E (0.57) KDM4EALDH1A1TDP1POLBMCHR1

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 KDM4E 3986/4885ALDH1A1 2418/4885TDP1 1044/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 KDM4E 3986/4885ALDH1A1 2418/4885TDP1 1044/4885

“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.