SCHEMBL21881840

SCHEMBL21881840

O=C(O)[C@H](OC1CCCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 4/20 0.44
CYP2D6 P10635 3/20 0.41
HTT P42858 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTR1E P28566 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR3 Q99500 1/20 0.41
SLC6A3 Q01959 3/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL21881480 1.00 TSHR (0.46) TSHRKDM4ELMNACYP2D6HTT
SCHEMBL21881471 1.00 TSHR (0.46) TSHRKDM4ELMNACYP2D6HTT
SCHEMBL21881514 0.98 TSHR (0.48) TSHRKDM4ELMNACYP2D6HTT
SCHEMBL23315458 0.98 TSHR (0.48) TSHRKDM4ELMNACYP2D6HTT
SCHEMBL19305340 0.93 CYP2D6 (0.43) TSHRKDM4ELMNACYP2D6SRC
SCHEMBL24327750 0.93 CYP2D6 (0.43) TSHRKDM4ELMNACYP2D6SRC
SCHEMBL17724373 0.93 CYP2D6 (0.43) TSHRKDM4ELMNACYP2D6SRC
SCHEMBL12468789 0.89 TSHR (0.38) TSHRKDM4ELMNACYP2D6HTT
SCHEMBL15131940 0.89 TSHR (0.38) TSHRKDM4ELMNACYP2D6HTT
SCHEMBL21881159 0.86 CYP2D6 (0.38) TSHRKDM4ELMNACYP2D6SRC

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 TSHR 237/4885KDM4E 4199/4885LMNA 4457/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 TSHR 237/4885KDM4E 4199/4885LMNA 4457/4885

“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.