SCHEMBL21565263

SCHEMBL21565263

CCCCCOc1ccc(C(C)C)c(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
TSHR P16473 2/20 0.47
LTA4H P09960 2/20 0.47
CARM1 Q86X55 1/20 0.47
HTR1B P28222 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL20314859 0.89 KDM4E (0.45) LTA4HCARM1KDM4E
SCHEMBL28583571 0.86 MEN1 (0.49) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL25454005 0.85 CARM1 (0.61) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL25453143 0.85 THRB (0.47) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL15000514 0.85 CARM1 (0.47) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL25453145 0.83 THRB (0.49) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL25453144 0.83 THRB (0.49) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL15000473 0.83 NR5A1 (0.47) NR5A1TSHRLTA4HCARM1HTR1B
SCHEMBL13848363 0.82 CYP3A4 (0.51) LTA4HCARM1HTR1BKDM4E
SCHEMBL15959109 0.81 CARM1 (0.42) NR5A1TSHRLTA4HCARM1KDM4E

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-11021455-B2 Brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2021-06-01 US disclosed
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2019-11-14 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 (2 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-11021455-B2 Brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient TAS2R20, BLVRB, FDPS NR5A1 765/4885TSHR 3925/4885LTA4H 953/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM NR5A1 729/4885TSHR 3696/4885LTA4H 984/4885

“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.