SCHEMBL16706017

SCHEMBL16706017

CCCCCCOc1ccc(N(CCCCC)c2ccc(OCCCCCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.58
LTA4H P09960 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL23303424 0.84 NR5A1 (0.56) NR5A1LTA4HKDM4EALDH1A1TP53
SCHEMBL23303019 0.84 NR5A1 (0.56) NR5A1LTA4HKDM4EALDH1A1TP53
SCHEMBL23302987 0.84 NR5A1 (0.56) NR5A1LTA4HKDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL23302955 0.83 NR5A1 (0.54) NR5A1LTA4HKDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL23303013 0.83 NR5A1 (0.54) NR5A1LTA4HKDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL23303073 0.83 NR5A1 (0.54) NR5A1LTA4HKDM4EALDH1A1TP53
SCHEMBL11095674 0.82 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL8936597 0.82 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5473083 0.82 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10943900 0.82 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B

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-9755155-B2 Organic compounds containing squaric acid or croconic acid moieties for application in electronic devices SONY CORPORATION (JP) 2017-09-05 US disclosed
US-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SONY CORPORATION (JP) 2015-05-14 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-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SQLE, ACSL1, ACSL3 NR5A1 997/4885LTA4H 1092/4885KDM4E 3379/4885

“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.