SCHEMBL21881386

SCHEMBL21881386

O=C(OC1CCCC1)C(OC1CCCC1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
NPC1 O15118 2/20 0.40
IDO1 P14902 1/20 0.38
TSHR P16473 2/20 0.37
CHRM1 P11229 4/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 2/20 0.37
DRD3 P35462 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
HRH1 P35367 1/20 0.37
SLC6A4 P31645 1/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM3 P20309 2/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL23315550 0.98 CYP19A1 (0.47) CYP19A1NPC1IDO1TSHRCHRM1
SCHEMBL21881192 0.86 NPC1 (0.43) NPC1TSHRCHRM1SLC6A3SLC6A2
SCHEMBL21881472 0.86 CYP2D6 (0.49) CYP19A1TSHRCHRM1CYP1A2CYP2D6
SCHEMBL21881191 0.86 CYP2D6 (0.49) CYP19A1TSHRCHRM1CYP1A2CYP2D6
SCHEMBL21881383 0.84 CYP2D6 (0.48) CYP19A1TSHRCHRM1CYP1A2CYP2D6
SCHEMBL7813041 0.83 CYP2D6 (0.49) CYP19A1CHRM1CYP1A2CYP2D6CYP2C9
SCHEMBL27137103 0.81 SLC6A3 (0.41) SLC6A3SLC6A4
SCHEMBL13086832 0.79 CYP19A1 (0.46) CYP19A1NPC1IDO1CHRM1CYP1A2
SCHEMBL24327739 0.79 NPC1 (0.40) NPC1TSHRCHRM1SLC6A3SLC6A2
SCHEMBL23349257 0.72 SLC6A3 (0.51) TSHRSLC6A3SLC6A2SLC6A4MEN1

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 CYP19A1 2372/4885NPC1 2425/4885IDO1 2136/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 CYP19A1 2372/4885NPC1 2425/4885IDO1 2136/4885

“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.