SCHEMBL21881595

SCHEMBL21881595

COC(=O)[C@@H]1Cc2c(cccc2OCc2ccccc2)CN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
RXRB P28702 5/20 0.42
RXRA P19793 4/20 0.42
RXRG P48443 3/20 0.42
BRD4 O60885 2/20 0.42
CREBBP Q92793 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL21602377 0.84 AGTR2 (0.52) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL28510043 0.83 AGTR2 (0.51) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL29758873 0.83 AGTR2 (0.51) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL28510044 0.83 AGTR2 (0.51) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL21881815 0.82 HPGD (0.46) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL21881521 0.82 AGTR2 (0.48) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL21881814 0.82 AGTR2 (0.48) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL21881537 0.82 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL21881520 0.82 HPGD (0.46) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL16356792 0.81 BRD4 (0.48) ALDH1A1MAPTCA1CA2ACHE

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 4199/4885ALDH1A1 493/4885CYP1A2 863/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 KDM4E 4199/4885ALDH1A1 493/4885CYP1A2 863/4885

“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.