SCHEMBL13248272

SCHEMBL13248272

CCN(CC)c1ccc2cc(C(=O)NCCOCCC(=O)O)c(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 6/20 0.62
HSD17B10 Q99714 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HPGD P15428 3/20 0.62
SLC16A3 O15427 1/20 0.62
ALOX15 P16050 1/20 0.62
SLC16A1 P53985 1/20 0.62
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
MAPT P10636 4/20 0.59
ATM Q13315 4/20 0.59
MAOB P27338 3/20 0.59
USP2 O75604 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
GBA1 P04062 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CASP1 P29466 1/20 0.57

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
SCHEMBL23758490 0.94 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL13056414 0.93 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL16202224 0.92 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL13524273 0.91 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL13248271 0.90 KMT2A (0.61) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL15298984 0.90 MAOB (0.63) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL17612195 0.89 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL13248267 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL13248269 0.89 KMT2A (0.60) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL14948237 0.88 KMT2A (0.59) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD

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-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-7695929-B2 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. (US) 2010-04-13 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 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-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN ALDH1A1 2096/4885KDM4E 3532/4885HSD17B10 2320/4885

“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.