SCHEMBL13593291

SCHEMBL13593291

O=C(O)CCCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.67
KLK1 P06870 3/20 0.67
KLK6 Q92876 2/20 0.67
ALOX15 P16050 2/20 0.67
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
NR1H4 Q96RI1 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
P2RX1 P51575 1/20 0.52
P2RX3 P56373 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 1/20 0.52
TNF P01375 2/20 0.49

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
SCHEMBL8438773 0.83 PLG (0.74) PLGKLK1KLK6ALOX15MEN1
SCHEMBL13593311 0.81 PLG (0.67) PLGKLK1KLK6ALOX15CYP1A2
Phenylbutanoic Acid SCHEMBL5657063 0.81 CYP1A1 (0.63) PLGKLK1KLK6ALOX15CYP1A2
SCHEMBL21273938 0.81 PLG (1.00) PLGKLK1KLK6ALOX15NR1H4
Hydrochloric Acid SCHEMBL22798886 0.81 PLG (1.00) PLGKLK1KLK6ALOX15NR1H4
SCHEMBL6381563 0.81 ALOX15 (0.70) PLGALOX15NR1H4MEN1KMT2A
SCHEMBL28134034 0.81 SLC16A3 (0.59) PLGKLK1KLK6ALOX15CYP1A2
SCHEMBL10885167 0.78 PLG (0.71) PLGKLK1KLK6ALOX15CYP1A1
SCHEMBL5383147 0.78 PLG (0.75) PLGKLK1KLK6ALOX15MEN1
SCHEMBL10102714 0.77 NR1H4 (0.72) NR1H4MEN1KMT2APOLBNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP PLG 83/4885KLK1 2818/4885KLK6 1728/4885

“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.