SCHEMBL21991346

SCHEMBL21991346

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
HTT P42858 1/20 0.45
DRD3 P35462 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL21991589 0.87 MAPT (0.49) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL21991336 0.87 CYP1A2 (0.50) ALDH1A1KMT2A
SCHEMBL21991567 0.87 TSHR (0.43) ALDH1A1TSHRKMT2AMAPT
SCHEMBL21991341 0.87 TSHR (0.45) ALDH1A1CYP2C9TSHRDRD3SMN1; SMN2
SCHEMBL21991332 0.87 CYP2C9 (0.46) ALDH1A1CYP2C9TSHRHPGDMTNR1A
SCHEMBL21991932 0.85 LDHA (0.50) ALDH1A1CYP2C9TSHRHPGDDRD3
SCHEMBL21991581 0.83 ALDH1A1 (0.48) ALDH1A1
SCHEMBL21991993 0.83 CYP1A2 (0.47) ALDH1A1KMT2A
SCHEMBL22651641 0.83 ALDH1A1 (0.51) ALDH1A1CYP2C9TSHRHPGDMTNR1A
SCHEMBL21991940 0.81 HPGD (0.53) ALDH1A1CYP2C9TSHRHPGDDRD3

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 ALDH1A1 932/4885CYP2C9 1183/4885TSHR 3214/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885CYP2C9 1183/4885TSHR 3214/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885CYP2C9 1183/4885TSHR 3214/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885CYP2C9 1183/4885TSHR 3214/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885CYP2C9 1183/4885TSHR 3214/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885CYP2C9 1183/4885TSHR 3214/4885

“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.