SCHEMBL12416613

SCHEMBL12416613

CCCCCCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCCCCCC)cc3)c(O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FAAH O00519 11/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL11855728 0.86 GAA (0.44) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6935510 0.85 GAA (0.43) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12753895 0.85 GAA (0.43) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2452014 0.85 GAA (0.43) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2451741 0.85 GAA (0.43) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2454248 0.85 GAA (0.43) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2454200 0.85 GAA (0.43) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2454576 0.84 GAA (0.57) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2454579 0.84 GAA (0.57) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2453529 0.84 GAA (0.57) NR5A1CYP1A2CYP19A1CYP2C9CYP2C19

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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 NR5A1 3226/4885CYP1A2 3482/4885CYP19A1 2122/4885

“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.