SCHEMBL21991332

SCHEMBL21991332

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL21991346 0.87 ALDH1A1 (0.49) CYP2C9HPGDSMN1; SMN2TSHRALDH1A1
SCHEMBL21991973 0.86 MAPT (0.44) HPGDSMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL21992706 0.86 CYP1A2 (0.49) CYP2C9CYP1A2HPGDCYP2C19RAB9A
SCHEMBL21991929 0.86 MAPT (0.40) NPC1SMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL21991341 0.84 TSHR (0.45) CYP2C9NPC1CYP1A2RAB9ASMN1; SMN2
SCHEMBL21992697 0.82 MAOB (0.44) ALDH1A1
SCHEMBL21991942 0.82 CYP1A2 (0.46) CYP2C9CYP1A2HPGDCYP2C19RAB9A
SCHEMBL21991932 0.82 LDHA (0.50) CYP2C9NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL21991937 0.81 TDP1 (0.39) TDP1L3MBTL1
SCHEMBL21991340 0.80 LMNA (0.52) CYP2C9CYP1A2HPGDCYP2C19SMN1; SMN2

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 CYP2C9 1183/4885NPC1 233/4885CYP1A2 2919/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CYP2C9 1183/4885NPC1 233/4885CYP1A2 2919/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP2C9 1183/4885NPC1 233/4885CYP1A2 2919/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP2C9 1183/4885NPC1 233/4885CYP1A2 2919/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP2C9 1183/4885NPC1 233/4885CYP1A2 2919/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP2C9 1183/4885NPC1 233/4885CYP1A2 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.