SCHEMBL16839628

SCHEMBL16839628

COc1cc(C=O)ccc1CF

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.61
TSHR P16473 1/20 0.61
FDPS P14324 1/20 0.57
HPGD P15428 2/20 0.56
TRIM24 O15164 1/20 0.56
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
AOX1 Q06278 1/20 0.51
TTR P02766 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A3 P47895 1/20 0.47

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
SCHEMBL13644446 0.85 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL13521532 0.85 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL30271611 0.85 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL10031796 0.82 ALDH1A1 (0.61) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL29101754 0.82 ALDH1A1 (0.61) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL25228293 0.82 ALDH1A1 (0.61) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL29452432 0.82 ALDH1A1 (0.61) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL11545585 0.82 ALDH1A1 (0.61) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL16839642 0.79 DRD1 (0.46) ALDH1A1TSHRFDPSHPGDTRIM24
SCHEMBL21159060 0.79 ALDH1A1 (0.58) ALDH1A1TSHRFDPSHPGDTRIM24

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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885TSHR 3613/4885FDPS 2356/4885

“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.