SCHEMBL3043854

SCHEMBL3043854

Cc1ccccc1OCCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FABP3 P05413 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
SCHEMBL22782667 0.98 TSHR (0.59) TSHRLMNATDP1ALDH1A1MEN1
SCHEMBL8355272 0.98 TSHR (0.59) TSHRLMNATDP1ALDH1A1MEN1
SCHEMBL8752667 0.95 TSHR (0.68) TSHRLMNATDP1MEN1KMT2A
SCHEMBL3046950 0.89 LMNA (0.69) TSHRLMNATDP1ALDH1A1MEN1
SCHEMBL8151680 0.85 LMNA (0.62) LMNAALDH1A1MEN1KMT2APPARA
SCHEMBL8162525 0.85 LMNA (0.62) LMNAALDH1A1MEN1KMT2APPARA
SCHEMBL8158709 0.85 LMNA (0.62) LMNAALDH1A1MEN1KMT2APPARA
SCHEMBL8163174 0.85 LMNA (0.62) LMNAALDH1A1MEN1KMT2APPARA
SCHEMBL8148742 0.85 LMNA (0.62) LMNAALDH1A1MEN1KMT2APPARA
SCHEMBL8161670 0.85 LMNA (0.62) LMNAALDH1A1MEN1KMT2APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US claimed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 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-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use TXNRD2, HADHA, PRDX5 TSHR 4649/4885LMNA 2194/4885TDP1 763/4885

“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.