SCHEMBL2850504

SCHEMBL2850504

C=CC/C(=C\c1ccccc1)CO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
AKR1C3 P42330 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PAM P19021 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ESR1 P03372 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 2/20 0.33
MMP9 P14780 2/20 0.33
NR1I2 O75469 1/20 0.33
FBP1 P09467 3/20 0.32
MMP1 P03956 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL2850505 1.00 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL7219057 0.90 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL216869 0.83 TSHR (0.43) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL7036787 0.81 CYP3A4 (0.49) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL433428 0.77 ALDH1A1 (0.44) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL3839387 0.77 LMNA (0.47) ALDH1A1TSHRAKR1C3ESR1MEN1
SCHEMBL28472907 0.75 TRPA1 (0.52) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL9179184 0.75 MME (0.42) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL7696952 0.73 FBP1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL4911765 0.73 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723550-B2 Process for preparing organic compounds NOVARTIS AG (CH) 2010-05-25 US disclosed
EP-1943205-B1 PROCESS FOR PREPARING OF 2-ALKYL-3-ARYL-PROP-2 ENE-1-OLS NOVARTIS AG (CH) 2010-01-20 EP disclosed
US-20090105503-A1 Process for Preparing organic compounds NOVARTIS PHARMA AG (CH) 2009-04-23 US disclosed
EP-1943205-A1 PROCESS FOR PREPARING OF 2-ALKYL 3-ARYL PROP-2-2ENE-1-OLS Speedel Experimenta AG (CH) 2008-07-16 EP disclosed
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
WO-2008055941-A1 PROCESS FOR PREPARING OF 2-ALKYL-3-ARYL-PROP-2 ENE-1-OLS SPEEDEL EXPERIMENTA AG (CH) 2008-05-15 WO 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-20090105503-A1 Process for Preparing organic compounds C1S, C9, C5 ALDH1A1 1478/4885TSHR 324/4885AKR1C3 47/4885

“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.