SCHEMBL21991786

SCHEMBL21991786

Cc1ccc(C)c(OC(C)C(=O)OC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTR2B P41595 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38

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
SCHEMBL24419010 0.85 TSHR (0.48) TSHRCYP2C9LMNAHTTNPSR1
SCHEMBL21991273 0.84 HTT (0.42) TSHRCYP2C9LMNAHTTPOLB
SCHEMBL13359799 0.84 TSHR (0.49) TSHRCYP2C9LMNAHTTMAPT
SCHEMBL7277166 0.81 TDP1 (0.59) TSHRCYP2C9LMNAHTTMEN1
SCHEMBL21992472 0.78 TSHR (0.42) TSHRCYP2C9LMNAHTTPOLB
SCHEMBL21991920 0.77 TSHR (0.43) TSHRCYP2C9LMNAHTTPOLB
SCHEMBL21991785 0.77 TSHR (0.45) TSHRCYP2C9LMNAHTTPOLB
SCHEMBL13059072 0.77 ACHE (0.43) TSHRCYP2C9LMNAHTTKMT2A
SCHEMBL21991998 0.75 HTT (0.43) TSHRCYP2C9LMNAHTTPOLB
SCHEMBL21991588 0.75 TSHR (0.48) TSHRCYP2C9LMNAHTTMAPT

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 TSHR 3214/4885CYP2C9 1183/4885LMNA 4533/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885LMNA 4533/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885LMNA 4533/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885LMNA 4533/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885LMNA 4533/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885LMNA 4533/4885

“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.