SCHEMBL21991775

SCHEMBL21991775

CCOC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ POLB P06746 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ HPGD P15428 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAOB P27338 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TSHR P16473 1/20 0.49

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
SCHEMBL16035326 0.92 NPSR1 (0.66) GAANPSR1LMNAPOLBMAPT
SCHEMBL5207122 0.92 GAA (0.66) GAANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL24806572 0.88 GAA (0.60) GAANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL9064154 0.86 HPGD (0.69) GAANPSR1LMNAPOLBMAPT
SCHEMBL16090177 0.86 NPSR1 (0.59) GAANPSR1LMNAPOLBMAPT
SCHEMBL21991271 0.85 HPGD (0.51) NPSR1CYP1A2CYP3A4CYP2C19BLM
SCHEMBL11460802 0.85 NPSR1 (0.57) GAANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL24805921 0.85 L3MBTL1 (0.58) GAANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL3271113 0.84 PTGS2 (0.51) GAANPSR1CYP1A2CYP3A4CYP2C19
SCHEMBL21991755 0.84 MAOB (0.60) GAANPSR1CYP1A2CYP3A4CYP2C19

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-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 — — US disclosed
CN-109306027-B Bifunctional photoinitiator and application thereof 北京英力科技发展有限公司 2020-09-01 — — CN disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 — — 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-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 GAA 2392/4885NPSR1 712/4885CYP1A2 2919/4885

“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.

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