SCHEMBL10000689

SCHEMBL10000689

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.43
ALDH2 P05091 5/20 0.42
LTA4H P09960 2/20 0.38
GPR88 Q9GZN0 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2C P28335 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
SCHEMBL14392105 0.90 GPR88 (0.36) NR5A1ALDH2GPR88ALDH1A1PTPN11
SCHEMBL10000688 0.88 GPR88 (0.36) ALDH2GPR88ALDH1A1PTPN11MAPT
SCHEMBL13068574 0.88 APP (0.37) GPR88MAPT
SCHEMBL7663737 0.88 NR5A1 (0.51) NR5A1ALDH2LTA4HGPR88ALDH1A1
SCHEMBL7663742 0.88 NR5A1 (0.51) NR5A1ALDH2LTA4HGPR88ALDH1A1
SCHEMBL6936741 0.88 NR5A1 (0.51) NR5A1ALDH2LTA4HGPR88ALDH1A1
SCHEMBL6934758 0.88 NR5A1 (0.51) NR5A1ALDH2LTA4HGPR88ALDH1A1
SCHEMBL14392104 0.88 ALDH2 (0.38) NR5A1ALDH2ALDH1A1ESR1ADRA2A
SCHEMBL13029242 0.87 NR5A1 (0.43) NR5A1LTA4HALDH1A1KDM4ETP53
SCHEMBL9137436 0.86 NR5A1 (0.56) NR5A1ALDH2LTA4HGPR88ALDH1A1

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 NR5A1 917/4885ALDH2 4669/4885LTA4H 4414/4885

“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.