SCHEMBL21991815

SCHEMBL21991815

CCOC(=O)CC(C)(C)Oc1ccc(F)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
BACE1 P56817 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21992571 0.88 BACE1 (0.40) BACE1MEN1KMT2A
SCHEMBL21992573 0.84 HSD17B10 (0.40) BACE1LMNAMAPK1HSD17B10
SCHEMBL21992584 0.84 PHGDH (0.37) BACE1
SCHEMBL21991238 0.82 PPARA (0.59) FBP1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL21991487 0.81 CYP1A2 (0.45) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL21991259 0.79 POLB (0.47) FBP1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL23605917 0.79 GAA (0.52) CYP1A2CYP3A4TSHRPPARAPOLB
SCHEMBL21992540 0.76 PPARA (0.63) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL21992545 0.76 BRD4 (0.45)
SCHEMBL23605971 0.76 ABCB11 (0.46) FBP1ABCB11CYP1A2CYP3A4TSHR

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 FBP1 2540/4885BACE1 1133/4885ABCB11 404/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 FBP1 2540/4885BACE1 1133/4885ABCB11 404/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885BACE1 1133/4885ABCB11 404/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885BACE1 1133/4885ABCB11 404/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885BACE1 1133/4885ABCB11 404/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885BACE1 1133/4885ABCB11 404/4885

“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.