SCHEMBL12844962

SCHEMBL12844962

C=C(C)CCOc1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.36
PPARD Q03181 1/20 0.36
LMNA P02545 1/20 0.35
RHEB Q15382 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
EPHX2 P34913 1/20 0.34
CDK8 P49336 1/20 0.34
FFAR1 O14842 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL12778370 0.80 THRA (0.49) THRATHRBCYP1A2CYP3A4CYP2C19
SCHEMBL12778374 0.80 PDK2 (0.43) THRATHRBCYP1A2CYP2C19PPARD
SCHEMBL8257891 0.78 MAOA (0.39) THRATHRBCYP1A2CYP3A4CYP2C19
SCHEMBL21678024 0.76 PPARA (0.48) PPARDPPARA
SCHEMBL12762091 0.76 NQO1 (0.46) CYP3A4LMNAL3MBTL1
SCHEMBL24935357 0.75 HDAC1 (0.44) THRATHRBCYP1A2CYP3A4CYP2C19
SCHEMBL12059085 0.73 TSHR (0.50) CYP1A2
SCHEMBL5543083 0.73 MCL1 (0.56) PPARDLMNAL3MBTL1PPARA
SCHEMBL16723455 0.73 LMNA (0.46) CYP2C19CYP2C9PPARDLMNARHEB
SCHEMBL17138150 0.72 MTNR1A (0.46) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 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-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections ACE, ACE2, TPMT THRA 3193/4885THRB 3650/4885CYP1A2 117/4885

“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.