SCHEMBL3602910

SCHEMBL3602910

O=Cc1cccc(OCF)c1OCF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD1 P21728 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SRC P12931 2/20 0.41
ERN1 O75460 3/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 3/20 0.39

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
SCHEMBL834422 0.82 ALDH1A1 (0.73) ALDH1A1HPGDHTTSMN1; SMN2DRD1
SCHEMBL10458167 0.82 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3808547 0.80 KMT2A (0.41) ALDH1A1HPGDHTTSMN1; SMN2DRD1
SCHEMBL16178398 0.80 SMN1; SMN2 (0.43) SMN1; SMN2DRD1DRD2DRD4DRD5
SCHEMBL29922833 0.78 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL181586 0.78 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL29923063 0.76 ALDH1A1 (0.58) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5724553 0.76 ALDH1A1 (0.58) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4180652 0.76 DRD1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2DRD1
SCHEMBL3214106 0.75 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 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-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 ALDH1A1 1420/4885HPGD 1019/4885HTT 1097/4885

“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.