SCHEMBL21991907

SCHEMBL21991907

COC(=O)C(C)(C)COc1ccc(F)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.42
DGAT1 O75907 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21991301 0.88 CYP1A2 (0.41) CYP1A2CYP2C9ALDH1A1DGAT1PARP15
SCHEMBL21991305 0.87 DGAT1 (0.49) CYP2C9DGAT1PARP15PARP10
SCHEMBL21991917 0.87 DGAT1 (0.39) CYP1A2CYP2C9ALDH1A1DGAT1PARP15
SCHEMBL21991947 0.86 BACE1 (0.41) PARP15PARP10BACE1
SCHEMBL21991531 0.79 SSTR4 (0.53) DGAT1
SCHEMBL3881117 0.79 DGAT1 (0.49) ALDH1A1DGAT1KDM4E
SCHEMBL21991239 0.78 MEN1 (0.42) CYP1A2BACE1
SCHEMBL21991944 0.77 PPARA (0.49) CYP1A2CYP2C9DGAT1PARP15PARP10
SCHEMBL5366382 0.77 HPGD (0.49) CYP2C9ALDH1A1
SCHEMBL21748570 0.76 SSTR4 (0.53) CYP1A2ALDH1A1DGAT1

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 CYP1A2 2919/4885CYP2C9 1183/4885ALDH1A1 932/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CYP1A2 2919/4885CYP2C9 1183/4885ALDH1A1 932/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885CYP2C9 1183/4885ALDH1A1 932/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885CYP2C9 1183/4885ALDH1A1 932/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885CYP2C9 1183/4885ALDH1A1 932/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885CYP2C9 1183/4885ALDH1A1 932/4885

“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.