SCHEMBL2452436

SCHEMBL2452436

O=C(O)c1ccccc1OCCOc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KMT2A Q03164 5/20 0.77
PTK2B Q14289 1/20 0.77
MEN1 O00255 4/20 0.71
PKM P14618 1/20 0.59
KDM4E B2RXH2 4/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.54
THRB P10828 1/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
PARP10 Q53GL7 1/20 0.51

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
SCHEMBL2450380 0.95 ALDH1A1 (0.90) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL2451111 0.95 ALDH1A1 (0.90) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL2049483 0.92 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BMEN1KDM4E
SCHEMBL30211332 0.92 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BMEN1KDM4E
SCHEMBL2452529 0.90 ALDH1A1 (0.81) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL2451600 0.89 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL2451339 0.89 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BMEN1PKM
SCHEMBL14383944 0.87 ALDH1A1 (0.77) ALDH1A1KMT2APTK2BMEN1KDM4E
SCHEMBL24801375 0.87 ALDH1A1 (1.00) ALDH1A1KMT2APTK2BMEN1KDM4E
SCHEMBL14964190 0.87 ALDH1A1 (1.00) ALDH1A1KMT2APTK2BMEN1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
US-5925780-A VIRICIDES FOR RETROVIRAL SPECIES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-07-20 US disclosed
US-5728718-A RETROVIRAL PROTEASE INHIBITOR; TREATMENT OF HTLV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-03-17 US disclosed
US-4728633-A HEAT AND PRESSURE SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1988-03-01 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 ALDH1A1 831/4885KMT2A 1190/4885PTK2B 1476/4885

“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.