SCHEMBL2615465

SCHEMBL2615465

Cc1cc(OCCCC(C)(C)C)c(C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C8 P10632 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA1A P35348 1/20 0.40
PPARG P37231 1/20 0.40
HTR2B P41595 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
KDM4E B2RXH2 3/20 0.34
ESR1 P03372 4/20 0.33
RECQL P46063 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL13284589 0.82 PPARA (0.64) PPARATSHRSMN1; SMN2TTRCYP1A2
SCHEMBL29840766 0.82 PPARA (0.64) PPARATSHRSMN1; SMN2TTRCYP1A2
SCHEMBL90173 0.79 LMNA (0.39) TSHRTDP1KDM4ELMNAHTT
SCHEMBL22138650 0.75 MRGPRX4 (0.47) PPARATSHRSMN1; SMN2TTRCYP1A2
SCHEMBL21757404 0.74 PPARA (0.43) PPARATSHRSMN1; SMN2TTRCYP1A2
SCHEMBL12203843 0.74 TSHR (0.68) PPARATSHRSMN1; SMN2TTRCYP1A2
SCHEMBL19123074 0.74 HTT (0.45) TSHRCYP1A2TDP1KDM4EESR1
SCHEMBL10202960 0.71 L3MBTL1 (0.61) SMN1; SMN2TTRCYP1A2CYP2C9TDP1
SCHEMBL15367027 0.70 TSHR (0.38) PPARATSHRSMN1; SMN2TTRCYP1A2
SCHEMBL16705082 0.69 CYP1A2 (0.39) SMN1; SMN2CYP1A2CYP2C9TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS PPARA 1435/4885TSHR 784/4885SMN1; SMN2 888/4885

“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.