SCHEMBL21881827

SCHEMBL21881827

CC1(OC(C(=O)O)c2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHRM4 P08173 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
PPARA Q07869 3/20 0.38
CYP2D6 P10635 1/20 0.38
SRC P12931 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL18744853 0.77 L3MBTL1 (0.41) LMNACHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL27589900 0.73 CHRM2 (0.43) LMNACHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL27410746 0.72 CHRM2 (0.44) LMNACHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL20749199 0.72 KMT2A (0.38) LMNACHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL155984 0.70 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1CYP3A4PPARA
SCHEMBL104518 0.70 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1CYP3A4PPARA
SCHEMBL103235 0.70 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1CYP3A4PPARA
SCHEMBL8400939 0.69 SRC (0.54) LMNAALDH1A1CYP3A4PPARACYP2D6
SCHEMBL14556742 0.69 CHRM2 (0.41) LMNACHRM2CHRM1CHRM3SMN1; SMN2
Ammonia Solution, Strong SCHEMBL38660904 0.69 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1CYP3A4PPARA

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 LMNA 4457/4885CHRM2 262/4885CHRM1 784/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 LMNA 4457/4885CHRM2 262/4885CHRM1 784/4885

“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.