SCHEMBL21991899

SCHEMBL21991899

COC(=O)CC(C)Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
KLK7 P49862 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL21992635 0.86 MTNR1A (0.61) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL21991898 0.85 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL23605805 0.85 KMT2A (0.49) ALDH1A1MAPTHTTMTNR1AMTNR1B
SCHEMBL21991557 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL21991286 0.84 NPSR1 (0.49) ALDH1A1MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL21991519 0.83 GAA (0.50) ALDH1A1MAPTMTNR1AMTNR1BNPSR1
SCHEMBL21991548 0.83 LDHA (0.47) ALDH1A1MAPTHTTSMN1; SMN2MTNR1A
SCHEMBL21991885 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTSMN1; SMN2MTNR1A
SCHEMBL2108302 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL2108300 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MTNR1AMTNR1B

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 932/4885MAPT 4264/4885HTT 3640/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 ALDH1A1 932/4885MAPT 4264/4885HTT 3640/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885MAPT 4264/4885HTT 3640/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885MAPT 4264/4885HTT 3640/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885MAPT 4264/4885HTT 3640/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 ALDH1A1 932/4885MAPT 4264/4885HTT 3640/4885

“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.