SCHEMBL14901669

SCHEMBL14901669

CCCCOc1ccc(C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.68
NR5A1 Q13285 1/20 0.68
ABCG2 Q9UNQ0 2/20 0.64
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
ESR1 P03372 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
NR1H2 P55055 1/20 0.62
RNASEL Q05823 1/20 0.62
TP53 P04637 1/20 0.60
PLA2G4B P0C869 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
RARB P10826 3/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL13845292 0.93 LTA4H (0.68) LTA4HNR5A1ABCG2TSHRSMN1; SMN2
SCHEMBL8769969 0.93 TP53 (0.68) TSHRSMN1; SMN2TP53PLA2G4BL3MBTL1
SCHEMBL17203727 0.89 TP53 (0.74) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL15154875 0.87 TP53 (0.77) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL6705357 0.87 TP53 (0.77) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL1623628 0.87 TP53 (0.77) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL18302060 0.87 TP53 (0.77) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL8769734 0.87 TP53 (0.77) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL533825 0.87 TP53 (0.77) NR5A1TSHRTP53PLA2G4BL3MBTL1
SCHEMBL9736442 0.87 LMNA (0.67) LTA4HNR5A1TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196342-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 LTA4H 2660/4885NR5A1 19/4885ABCG2 834/4885

“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.