SCHEMBL21991750

SCHEMBL21991750

COc1cc(OC(C)(C)C(=O)OC(C)C)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ABCB11 O95342 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
HTR2A P28223 2/20 0.53
PMP22 Q01453 2/20 0.53
PPARA Q07869 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADRB3 P13945 1/20 0.53
CNR1 P21554 1/20 0.53

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
SCHEMBL21991239 0.86 MEN1 (0.42) CYP1A2MEN1KMT2AABCB11CYP3A4
SCHEMBL21991741 0.81 PPARA (0.54) CYP1A2MEN1KMT2ACYP3A4TSHR
SCHEMBL21991238 0.81 PPARA (0.59) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21992584 0.81 PHGDH (0.37)
SCHEMBL21991917 0.81 DGAT1 (0.39) CYP1A2MEN1KMT2AABCB11CYP3A4
SCHEMBL21991759 0.79 PPARA (0.64) CYP1A2MEN1KMT2AABCB11CYP3A4
SCHEMBL21991994 0.79 HCRTR2 (0.39) CYP1A2MEN1KMT2AABCB11CYP3A4
SCHEMBL21991447 0.78 PPARA (0.62) CYP1A2MEN1KMT2AABCB11CYP3A4
SCHEMBL21991241 0.77 GRM4 (0.39) CYP1A2MEN1KMT2AMAPTCYP2C9
SCHEMBL23605941 0.76 POLB (0.44) CYP1A2MEN1KMT2AMAPTCYP2C9

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 2919/4885MEN1 3749/4885KMT2A 4842/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CYP1A2 2919/4885MEN1 3749/4885KMT2A 4842/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885MEN1 3749/4885KMT2A 4842/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885MEN1 3749/4885KMT2A 4842/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885MEN1 3749/4885KMT2A 4842/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885MEN1 3749/4885KMT2A 4842/4885

“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.