SCHEMBL6045360

SCHEMBL6045360

CCOC(=O)c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
HCRTR1 O43613 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.57
CLEC4M Q9H2X3 1/20 0.57
DHFR P00374 1/20 0.54
CDC25B P30305 2/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53

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
SCHEMBL30804630 1.00 KDM4E (0.62) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
Benzene SCHEMBL30804625 0.99 KDM4E (0.60) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8387303 0.86 KDM4E (0.59) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11737708 0.84 CLEC4M (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15709468 0.83 ERAP1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9485757 0.83 MPL (0.61) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11809823 0.83 KDM4E (0.60) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3105919 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2ATSHRDHFR
SCHEMBL479247 0.82 KDM4E (0.62) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL28023310 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTSMN1; SMN2MEN1

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-8486990-B2 SirT inhibitors that bind to NAD ELIXIR PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20060074124-A1 Methods of treating a disorder IPSOL AG (LI) 2006-04-06 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-20060074124-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 KDM4E 3776/4885ALDH1A1 418/4885MAPT 406/4885

“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.