SCHEMBL21991928

SCHEMBL21991928

COc1ccc(OC(C)C(C)CC(=O)OC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21992699 0.87 MTNR1A (0.50) NPC1SMN1; SMN2RAB9AHPGDCYP1A2
SCHEMBL21991345 0.86 LDHA (0.44) SMN1; SMN2RAB9AMAPTPPARGPPARA
SCHEMBL21991987 0.86 KMT2A (0.45) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21991316 0.86 MAPT (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL21991913 0.84 MTNR1A (0.54) NPC1SMN1; SMN2RAB9AHPGDCYP1A2
SCHEMBL21992693 0.84 PPARA (0.44) MAPTPPARGPPARAALDH1A1
SCHEMBL21992715 0.83 ALOX15 (0.45) NPC1RAB9AHPGDTAS1R3TAS1R1
SCHEMBL21991598 0.82 KMT2A (0.42) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL21992716 0.82 MTNR1B (0.36) MTNR1BTP53
SCHEMBL21991586 0.82 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NPC1 233/4885SMN1; SMN2 3122/4885RAB9A 1547/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 NPC1 233/4885SMN1; SMN2 3122/4885RAB9A 1547/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NPC1 233/4885SMN1; SMN2 3122/4885RAB9A 1547/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NPC1 233/4885SMN1; SMN2 3122/4885RAB9A 1547/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 NPC1 233/4885SMN1; SMN2 3122/4885RAB9A 1547/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 NPC1 233/4885SMN1; SMN2 3122/4885RAB9A 1547/4885

“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.