SCHEMBL22070965

SCHEMBL22070965

CC(C)(/C=C/C(=O)O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
TSHR P16473 4/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TBXAS1 P24557 1/20 0.37
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32

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
SCHEMBL28702595 1.00 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9126098 0.82 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL16469656 0.80 TSHR (0.40) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL3192910 0.80 TBXAS1 (0.46) TSHRTDP1TBXAS1TP53EGLN1
SCHEMBL16469655 0.80 TSHR (0.40) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL3192914 0.80 TBXAS1 (0.46) TSHRTDP1TBXAS1TP53EGLN1
Hydrochloric Acid SCHEMBL9416107 0.79 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL7917810 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL5004245 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL4373237 0.78 TSHR (0.38) TSHRTDP1TBXAS1TP53EGLN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968786-B Process for preparing two methyl substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylic acid ester compounds for preparing same 信越化学工业株式会社 2025-03-28 CN disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 HMGCR 510/4885CHRM1 624/4885TBXA2R 268/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 HMGCR 510/4885CHRM1 624/4885TBXA2R 268/4885

“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.