SCHEMBL5998053

SCHEMBL5998053

O=C1OC(=O)c2cc(-c3ccccc3)cc3cccc1c23

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 14/20 0.60
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10015442 0.82 CES1 (0.57) TYMSMEN1APAF1NPC1LMNA
SCHEMBL8873926 0.81 TYMS (0.53) TYMS
SCHEMBL23068382 0.80 ALDH1A1 (0.56) TYMSMEN1APAF1NPC1LMNA
SCHEMBL31107074 0.80 ALDH1A1 (0.56) TYMSMEN1APAF1NPC1LMNA
SCHEMBL17529466 0.78 PARP1 (0.61) TDP1MEN1APAF1NPC1LMNA
SCHEMBL28017773 0.77 ALDH1A1 (0.46) TYMSMEN1MAPTRAB9AKMT2A
1,8-Naphthalic Anhydride SCHEMBL30415 0.77 TYMS (1.00) TYMSALOX15TDP1MEN1MAPT
1,8-Naphthalic Anhydride SCHEMBL29351054 0.77 TYMS (1.00) TYMSALOX15TDP1MEN1MAPT
SCHEMBL4957627 0.77 TYMS (0.67) TYMSALOX15TDP1
SCHEMBL9095532 0.76 TYMS (0.51) TYMS

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-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US disclosed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR TYMS 1513/4885ALOX15 1342/4885TDP1 3775/4885

“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.