SCHEMBL4833264

SCHEMBL4833264

CCCCCCCOc1[c]cc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.40
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
LTA4H P09960 3/20 0.35
PLA2G4B P0C869 1/20 0.35
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.34
SMPD1 P17405 1/20 0.33

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
SCHEMBL21268143 0.93 KDM4E (0.36) NR5A1THRATHRBTSHRLMNA
SCHEMBL17046353 0.87 HPGD (0.38) LMNATP53SMN1; SMN2LTA4HMAPT
SCHEMBL6679672 0.81 NR5A1 (0.53) NR5A1TSHRLMNATP53LTA4H
SCHEMBL5695326 0.81 NR5A1 (0.53) NR5A1TSHRLMNATP53LTA4H
SCHEMBL3603428 0.81 NR5A1 (0.53) NR5A1TSHRLMNATP53LTA4H
SCHEMBL10887378 0.81 NR5A1 (0.41) NR5A1THRBTSHRLMNATP53
SCHEMBL220659 0.80 NQO1 (0.36) THRBTSHRLMNASMN1; SMN2
SCHEMBL4833181 0.79 NR5A1 (0.40) NR5A1THRATHRBTSHRTP53
SCHEMBL4623426 0.79 NR5A1 (0.44) NR5A1THRATHRBTSHRLMNA
SCHEMBL4622605 0.79 NR5A1 (0.44) NR5A1THRATHRBTSHRLMNA

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO NR5A1 673/4885THRA 3258/4885THRB 2947/4885

“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.