SCHEMBL21068615

SCHEMBL21068615

O=C(O)COCc1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.39
TRPA1 O75762 1/20 0.39
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
GRM5 P41594 1/20 0.37
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
ALOX15 P16050 1/20 0.36
PAM P19021 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL1760266 0.84 FFAR1 (0.51) HRH3ALDH1A1KMT2AFFAR1FFAR4
SCHEMBL5040591 0.83 CA2 (0.56) HRH3ALDH1A1KMT2ACA2CAMK2A
SCHEMBL21068905 0.82 HRH3 (0.43) HRH3ALDH1A1TSHRKMT2ACA2
SCHEMBL231282 0.81 TSHR (0.61) ALDH1A1TSHRKMT2AGRM5ALOX15
SCHEMBL28860807 0.80 ALDH1A1 (0.61) ALDH1A1TSHRNPC1RXRARXRB
SCHEMBL360819 0.80 NR4A2 (0.50) ALDH1A1GRM5FFAR1
SCHEMBL16542351 0.80 HRH3 (0.42) HRH3ALDH1A1TSHRKMT2ANPC1
SCHEMBL13886095 0.80 RAB9A (0.51) HRH3ALDH1A1KMT2ACA2FFAR1
SCHEMBL10151312 0.80 RXRA (0.50) HRH3ALDH1A1RXRARXRB
SCHEMBL13886143 0.80 ALDH1A1 (0.50) HRH3ALDH1A1KMT2ANPC1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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 (1 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 CES2 666/4885CES1 456/4885HRH3 1068/4885

“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.