SCHEMBL21992707

SCHEMBL21992707

COC(=O)C(C)(C)CCOc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11707662 0.89 PPARA (0.52) PPARAMAPTNPC1KMT2ALMNA
SCHEMBL21991577 0.87 PPARA (0.53) PPARAMAPTALDH1A1NPC1KMT2A
SCHEMBL21991968 0.87 SMN1; SMN2 (0.47) PPARAMAPTKMT2ASMN1; SMN2LMNA
SCHEMBL21991954 0.87 ALDH1A1 (0.50) PPARAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL21991979 0.86 PPARA (0.50) PPARAMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL21991329 0.85 PPARA (0.71) PPARAMTNR1AMTNR1BMAPTLMNA
SCHEMBL21991339 0.84 PPARA (0.55) PPARAMAPTALDH1A1KMT2ALMNA
SCHEMBL21991919 0.84 PPARA (0.49) PPARAMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL21991596 0.83 PPARA (0.50) PPARAMAPTALDH1A1NPC1KMT2A
SCHEMBL3881117 0.83 DGAT1 (0.49) PPARAMTNR1AMTNR1BMAPTALDH1A1

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 PPARA 806/4885MTNR1A 3190/4885MTNR1B 2158/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885MTNR1A 3190/4885MTNR1B 2158/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MTNR1A 3190/4885MTNR1B 2158/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MTNR1A 3190/4885MTNR1B 2158/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MTNR1A 3190/4885MTNR1B 2158/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885MTNR1A 3190/4885MTNR1B 2158/4885

“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.