SCHEMBL3036535

SCHEMBL3036535

CC(C)(C)c1cc(C(C(=O)O)(C(=O)O)C(C)(C)C)c(F)c(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 4/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
XDH P47989 1/20 0.33
HPSE Q9Y251 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KIF11 P52732 1/20 0.32
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL3023947 0.85 ALDH1A1 (0.40) ALDH1A1MAPTNPSR1TSHRPOLB
SCHEMBL2434985 0.84 FEN1 (0.40) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL13560499 0.82 ALDH1A1 (0.33) ALDH1A1MAPTTDP1TSHRPOLB
SCHEMBL3031367 0.80 CYP3A4 (0.35)
SCHEMBL5004221 0.68 SMN1; SMN2 (0.40) ALDH1A1MAPTNPSR1TDP1TSHR
SCHEMBL4996473 0.67 SMN1; SMN2 (0.33) ALDH1A1NPSR1TDP1TSHRSMN1; SMN2
SCHEMBL28162817 0.66 EPAS1 (0.43) ALDH1A1MAPTNPSR1ATMTDP1
SCHEMBL22555908 0.65 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1ATMTDP1
SCHEMBL5587447 0.65 MEN1 (0.50) ALDH1A1MAPTTDP1TSHRSMN1; SMN2
SCHEMBL2437573 0.65 AR (0.35) ALDH1A1MAPTNPSR1ATMTDP1

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 ALDH1A1 348/4885MAPT 791/4885NPSR1 3326/4885

“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.