SCHEMBL13633904

SCHEMBL13633904

Cc1ccc(-c2nc(C)c(C)o2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 9/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 6/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
ADORA2A P29274 1/20 0.35

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
SCHEMBL13633789 0.77 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL1052616 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL504387 0.72 ALDH1A1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL12578009 0.71 TDP1 (0.67) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL19135710 0.69 KAT8 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL10064162 0.69 TDP1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL11983826 0.69 TDP1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL21929982 0.69 TDP1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL13633926 0.68 NPC1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL436384 0.68 GAA (0.57) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 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 (2 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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 KDM4E 4107/4885ALDH1A1 1358/4885HPGD 724/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 KDM4E 4614/4885ALDH1A1 1255/4885HPGD 2962/4885

“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.