SCHEMBL10000688

SCHEMBL10000688

CCCCCCC(C)Oc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.36
GCGR P47871 5/20 0.34
ALDH2 P05091 2/20 0.33
PTPN11 Q06124 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC2A1 P11166 1/20 0.33
MAPT P10636 1/20 0.32
PPARA Q07869 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ADCY6 O43306 1/20 0.31
ADCY3 O60266 1/20 0.31
ADCY9 O60503 1/20 0.31
ADCY5 O95622 1/20 0.31
ADCY8 P40145 1/20 0.31
ADCY7 P51828 1/20 0.31
ADCY2 Q08462 1/20 0.31
ADCY1 Q08828 1/20 0.31
ADCY4 Q8NFM4 1/20 0.31

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
SCHEMBL13068574 0.90 APP (0.37) GPR88MAPT
SCHEMBL10000689 0.88 NR5A1 (0.43) GPR88ALDH2PTPN11ALDH1A1MAPT
SCHEMBL13029242 0.88 NR5A1 (0.43) PTPN11ALDH1A1SLC2A1RARB
SCHEMBL12808526 0.87 PPARG (0.38) GPR88GCGRALDH1A1SLC2A1MAPT
SCHEMBL14392105 0.86 GPR88 (0.36) GPR88ALDH2PTPN11ALDH1A1PPARA
SCHEMBL12991145 0.86 SLC2A1 (0.41) GPR88ALDH1A1SLC2A1MAPTPPARA
SCHEMBL8436586 0.86 SLC2A1 (0.41) GPR88ALDH1A1SLC2A1MAPTPPARA
SCHEMBL2622415 0.86 SLC2A1 (0.41) GPR88ALDH1A1SLC2A1MAPTPPARA
SCHEMBL12324326 0.85 CNR1 (0.34) GPR88ALDH2MAPT
SCHEMBL12286851 0.84 RARB (0.37) GPR88PTPN11SLC2A1PPARARARB

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-8101095-B2 Antiferroelectric orthoconic liquid crystalline material with long pitch and the method of its preparation WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2012-01-24 US disclosed
US-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION WOJSKOWA AKADEMIA TECHNICZNA IM. JAROSLAWA DABROWSKIEGO (PL) 2010-10-14 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-20100258765-A1 ANTIFERROELECTRIC ORTHOCONIC LIQUID CRYSTALLINE MATERIAL WITH LONG PITCH AND THE METHOD OF ITS PREPARATION CRY2, PAX2, CXXC5 GPR88 4830/4885GCGR 3940/4885ALDH2 4669/4885

“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.