SCHEMBL20866271

SCHEMBL20866271

CCc1cc(F)c(C)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CA2 P00918 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
TUBB1 Q9H4B7 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13754262 0.85 PTGS2 (0.67) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL22817375 0.82 CYP4F2 (0.41) HTR2AHTR2CHTR2BCA2TAAR1
SCHEMBL13226752 0.82 PTGS2 (0.57) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL6886890 0.80 HDAC1 (0.37) PTGS2TAAR1LMNA
SCHEMBL12560288 0.79 PTGS2 (0.59) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL16502336 0.78 PTGS2 (0.53) PTGS2TAAR1KDM4EALDH1A1LMNA
SCHEMBL12763628 0.77 PTGS2 (0.52) PTGS2HTR2AHTR2CHTR2BCA2
SCHEMBL12763938 0.74 PTGS2 (0.48) PTGS2HTR2AHTR2CHTR2BKDM4E
SCHEMBL13086666 0.74 TUBB1 (0.39) TUBB1LMNAMAPK1
SCHEMBL17864550 0.74 ACHE (0.52) KDM4ETUBB1ALDH1A1LMNAMAPK1

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
US-10590130-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-17 US disclosed
US-20190100520-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2019-04-04 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 (2 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-20190100520-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 PTGS2 901/4885HTR2A 3597/4885HTR2C 2236/4885
US-10590130-B2 Chemical compounds MKI67, CCNI, MCL1 PTGS2 901/4885HTR2A 3597/4885HTR2C 2236/4885

“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.