SCHEMBL224911

SCHEMBL224911

CCCCCC1CCC(c2ccccc2-c2ccc(O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.42
PTGS2 P35354 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
RAB9A P51151 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL262121 0.89 GAA (0.41) PTGS2MAPTGAACYP2C9CYP1A2
SCHEMBL9751895 0.89 GAA (0.41) PTGS2MAPTGAACYP2C9CYP1A2
SCHEMBL29906122 0.89 GAA (0.41) PTGS2MAPTGAACYP2C9CYP1A2
SCHEMBL2035330 0.87 PTGS2 (0.39) PTGS2MAPTGAACYP3A4CYP2C9
SCHEMBL263717 0.87 PTGS2 (0.39) PTGS2MAPTGAACYP2C9CYP1A2
SCHEMBL8416013 0.86 BCHE (0.44) MAPTGAACYP2C9CYP1A2MAPK1
SCHEMBL28861875 0.85 RARB (0.43) MAPTALDH1A1
SCHEMBL262956 0.85 GAA (0.43) PTGS2MAPTGAACYP2C9CYP1A2
SCHEMBL7912542 0.85 GAA (0.43) PTGS2MAPTGAACYP2C9CYP1A2
SCHEMBL10894240 0.85 HRH3 (0.39) PTGS2MAPTGAACYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431039-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-04-30 US disclosed
WO-2013022607-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-20120002141-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 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-20120002141-A1 MESOGENIC STABILIZERS BMI1, METTL14, PYM1 ESR2 3153/4885PTGS2 4369/4885MAPT 1211/4885

“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.