SCHEMBL21991807

SCHEMBL21991807

CCOC(=O)CC(C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 3/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL23605971 0.87 ABCB11 (0.46) KMT2AMEN1NPSR1LMNACYP1A2
SCHEMBL21991487 0.86 CYP1A2 (0.45) KMT2AMAPTMEN1CYP1A2ABCB11
SCHEMBL21992540 0.84 PPARA (0.63) KMT2AMAPTMEN1LMNACYP1A2
SCHEMBL21991259 0.84 POLB (0.47) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL21991272 0.84 HPGD (0.44) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL21992549 0.82 POLB (0.48) KMT2AMAPTMEN1NPSR1CYP1A2
SCHEMBL21991523 0.81 PPARA (0.58) KMT2AMAPTMEN1LMNACYP1A2
SCHEMBL21991270 0.80 PPARA (0.43) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL21991811 0.80 MAPT (0.42) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL9936234 0.79 SMN1; SMN2 (0.45) KMT2AMAPTMEN1NPSR1LMNA

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 4 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-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 (4 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 KMT2A 4842/4885MAPT 4264/4885MEN1 3749/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 KMT2A 4842/4885MAPT 4264/4885MEN1 3749/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MAPT 4264/4885MEN1 3749/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 KMT2A 4842/4885MAPT 4264/4885MEN1 3749/4885

“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.