SCHEMBL403442

SCHEMBL403442

Cc1cccc(-c2cc(-c3ccc(C)cc3O)n[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.66
RAB9A P51151 12/20 0.66
MEN1 O00255 11/20 0.66
NPC1 O15118 9/20 0.66
ALOX15 P16050 9/20 0.66
SMN1; SMN2 Q16637 8/20 0.66
HPGD P15428 7/20 0.66
NPSR1 Q6W5P4 4/20 0.66
TP53 P04637 3/20 0.66
LMNA P02545 3/20 0.66
GLA P06280 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MAPT P10636 11/20 0.64
NFKB1 P19838 6/20 0.64
NFKB2 Q00653 6/20 0.64
RELA Q04206 6/20 0.64
CASP3 P42574 4/20 0.64
SENP8 Q96LD8 4/20 0.64
SENP7 Q9BQF6 4/20 0.64
SENP6 Q9GZR1 4/20 0.64

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
SCHEMBL17943327 0.90 ALOX15 (0.65) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL404975 0.89 KMT2A (0.81) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL10358565 0.86 RAB9A (0.77) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL22415561 0.82 MAPT (0.66) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL21440049 0.82 MAPT (0.62) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL10357444 0.81 MEN1 (0.80) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL16500504 0.81 APP (0.65) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL24897238 0.81 RAB9A (0.56) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL17279800 0.81 RAB9A (0.56) KMT2ARAB9AMEN1NPC1ALOX15
SCHEMBL4239940 0.81 MEN1 (0.83) KMT2ARAB9AMEN1NPC1ALOX15

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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK KMT2A 4175/4885RAB9A 1574/4885MEN1 1938/4885
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION EIF2AK2, EIF4EBP1, EIF4E KMT2A 2702/4885RAB9A 2106/4885MEN1 3203/4885

“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.