SCHEMBL6933429

SCHEMBL6933429

CC(=O)Nc1cc2ccc(C)cc2oc1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
MAOA P21397 6/20 0.68
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HPGD P15428 2/20 0.68
HSD17B10 Q99714 2/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
GLA P06280 2/20 0.67
GAA P10253 2/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
MAOB P27338 10/20 0.57
ACHE P22303 2/20 0.57
NPC1 O15118 2/20 0.56
PKM P14618 2/20 0.56
RAB9A P51151 2/20 0.56
ADORA3 P0DMS8 1/20 0.54
TP53 P04637 2/20 0.49
HSD11B1 P28845 1/20 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
SCHEMBL1607327 0.85 KDM4E (0.68) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL893303 0.81 KDM4E (1.00) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL11396698 0.81 ALDH1A1 (0.78) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL6936676 0.80 KDM4E (1.00) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL22017335 0.80 KDM4E (0.62) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL9911573 0.78 KDM4E (0.59) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL12611180 0.76 HSD11B1 (0.78) KDM4EMAOAALDH1A1HPGDCYP1A2
SCHEMBL28724998 0.76 KDM4E (0.60) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL2792074 0.76 KDM4E (0.71) KDM4EMAOAALDH1A1SMN1; SMN2HPGD
SCHEMBL14212684 0.75 KDM4E (0.55) KDM4EMAOAALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 2965/4885MAOA 4780/4885ALDH1A1 3066/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 KDM4E 4728/4885MAOA 4863/4885ALDH1A1 4382/4885

“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.