SCHEMBL18161886

SCHEMBL18161886

O=C(O)CN(CC(=O)O)Cc1ccccc1CCCCc1ccccc1CN(CC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CYSLTR2 Q9NS75 5/20 0.40
▸ CYSLTR1 Q9Y271 5/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ BID P55957 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ BAK1 Q16611 1/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL18161901 0.92 ALOX15 (0.41) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL641321 0.90 TDP1 (0.49) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL4296152 0.78 AKR1B1 (0.61) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL11152664 0.77 TSHR (0.53) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL22916771 0.77 AKR1B1 (0.59) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL9705112 0.77 TDP1 (0.42) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL8930119 0.76 TDP1 (0.49) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL22826566 0.75 MAPT (0.67) KEAP1CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL3689872 0.75 AKR1B1 (0.52) KEAP1TDP1ALOX15TSHRCYP2C19
SCHEMBL847204 0.74 TDP1 (0.44) KEAP1TDP1ALOX15TSHRCYP2C19

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-20160304473-A1 EXCIMER FORMING COMPOUNDS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-10-20 — — 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-20160304473-A1 EXCIMER FORMING COMPOUNDS PHAX, RNMT, POLM KEAP1 4789/4885TDP1 1179/4885ALOX15 4573/4885

“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.

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