SCHEMBL21992679

SCHEMBL21992679

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 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
SCHEMBL21991992 0.90 PARP15 (0.39) PARP15PARP10HCRTR2
SCHEMBL21991937 0.88 TDP1 (0.39) HIF1ATDP1L3MBTL1PARP15PARP10
SCHEMBL23605986 0.86 FFAR1 (0.43) MAPK1PARP15PARP10HTT
SCHEMBL21991269 0.83 TAS2R14 (0.38) HIF1A
SCHEMBL24418987 0.81 HIF1A (0.40) HIF1APARP15PARP10
SCHEMBL21991341 0.81 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL24805049 0.80 LMNA (0.49) ALDH1A1L3MBTL1KDM4E
SCHEMBL21991887 0.80 MAPT (0.48) TDP1L3MBTL1KDM4E
SCHEMBL23605917 0.78 GAA (0.52) ALDH1A1TSHRMAPK1L3MBTL1KDM4E
SCHEMBL21992695 0.78 BACE1 (0.38) ALDH1A1KDM4E

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 HIF1A 4527/4885ALDH1A1 932/4885TSHR 3214/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 HIF1A 4527/4885ALDH1A1 932/4885TSHR 3214/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HIF1A 4527/4885ALDH1A1 932/4885TSHR 3214/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HIF1A 4527/4885ALDH1A1 932/4885TSHR 3214/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 HIF1A 4527/4885ALDH1A1 932/4885TSHR 3214/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 HIF1A 4527/4885ALDH1A1 932/4885TSHR 3214/4885

“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.