SCHEMBL21881909

SCHEMBL21881909

CCOC(=O)C1Cc2c(ccc(C)c2OCc2ccccc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AGTR2 P50052 1/20 0.46
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
EGFR P00533 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL21881815 0.90 HPGD (0.46) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL21881520 0.90 HPGD (0.46) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL10047780 0.89 PTPN1 (0.42) AGTR2PTPN1PTGER4PTGER3PTGER2
SCHEMBL18608232 0.89 AGTR2 (0.59) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL21881848 0.89 AGTR2 (0.59) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL21881185 0.89 AGTR2 (0.59) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL29758892 0.88 AGTR2 (0.58) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL21596260 0.88 AGTR2 (0.58) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL23315467 0.80 AGTR2 (0.49) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL21881614 0.80 AGTR2 (0.49) KDM4ECYP1A2CYP2D6CYP2C9MAPK1

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-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 US disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 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 (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-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 KDM4E 4199/4885CYP1A2 863/4885CYP2D6 873/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 KDM4E 4199/4885CYP1A2 863/4885CYP2D6 873/4885

“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.