SCHEMBL21881528

SCHEMBL21881528

COC(=O)C1Cc2c(ccc(Cl)c2OCc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AGTR2 P50052 9/20 0.42
LMNA P02545 1/20 0.41
FABP4 P15090 1/20 0.39
AGTR1 P30556 2/20 0.39
HPD P32754 1/20 0.39

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
SCHEMBL21881853 1.00 HPGD (0.45) HPGDKDM4EALDH1A1CYP1A2GAA
SCHEMBL21881520 0.88 HPGD (0.46) HPGDKDM4EALDH1A1CYP1A2GAA
SCHEMBL21881815 0.88 HPGD (0.46) HPGDKDM4EALDH1A1CYP1A2GAA
SCHEMBL21881814 0.88 AGTR2 (0.48) HPGDKDM4EALDH1A1CYP1A2GAA
SCHEMBL21881521 0.88 AGTR2 (0.48) HPGDKDM4EALDH1A1CYP1A2GAA
SCHEMBL21602377 0.87 AGTR2 (0.52) HPGDKDM4EALDH1A1CYP1A2GAA
SCHEMBL21881603 0.87 HPGD (0.45) HPGDKDM4EALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL29758873 0.86 AGTR2 (0.51) HPGDKDM4EALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL28510043 0.86 AGTR2 (0.51) HPGDKDM4EALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL28510044 0.86 AGTR2 (0.51) HPGDKDM4EALDH1A1CYP1A2GAA

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 3 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
EP-3620454-B1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-05 EP 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 HPGD 553/4885KDM4E 4199/4885ALDH1A1 493/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 HPGD 553/4885KDM4E 4199/4885ALDH1A1 493/4885

“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.