SCHEMBL803071

SCHEMBL803071

C=C(C)C(=O)Cc1ccc2c(c1)OCc1cc(OC(=O)C(=C)C)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
ROCK2 O75116 11/20 0.40
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AAK1 Q2M2I8 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
SCHEMBL802630 0.87 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTROCK2AAK1
SCHEMBL802742 0.84 KMT2A (0.41) AKR1B1MAPTMAOAMAOB
SCHEMBL15292004 0.83 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTROCK2AAK1
SCHEMBL22600498 0.77 ELANE (0.40) MAOAMAOB
SCHEMBL75194 0.76 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTMAOAMAOB
SCHEMBL16487799 0.76 PTGS1 (0.48) SMN1; SMN2MAPTMAOA
SCHEMBL18365493 0.74 MAPT (0.60) ALDH1A1SMN1; SMN2MAPTMAOAMAOB
SCHEMBL783519 0.73 KMT2A (0.51) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2604680 0.73 KMT2A (0.48) ALDH1A1SMN1; SMN2MAPTMAOA
SCHEMBL14048480 0.72 ELANE (0.44)

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-9096795-B2 Liquid crystal display MERCK PATENT GMBH (DE) 2015-08-04 US disclosed
US-20120069289-A1 LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 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-20120069289-A1 LIQUID CRYSTAL DISPLAY LPXN, VCL, ACP3 AKR1B1 3961/4885ALDH1A1 3543/4885SMN1; SMN2 882/4885

“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.