SCHEMBL2455046

SCHEMBL2455046

Cc1ccc(COc2ccccc2C(=O)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
APEX1 P27695 1/20 0.54
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.50
PARP1 P09874 1/20 0.49
AKR1C1 Q04828 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
MRGPRX4 Q96LA9 4/20 0.48
FOLH1 Q04609 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
VDR P11473 1/20 0.46
KDM4A O75164 1/20 0.46
KDM5A P29375 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
KDM4C Q9H3R0 1/20 0.46

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
SCHEMBL5838420 0.89 ALDH1A1 (0.57) ALDH1A1APEX1HTTTP53PARP1
SCHEMBL5839145 0.85 ALDH1A1 (0.68) ALDH1A1APEX1HTTTP53KMT2A
SCHEMBL16273717 0.83 MRGPRX4 (0.61) ALDH1A1HTTTP53MRGPRX4FOLH1
SCHEMBL5840206 0.82 APEX1 (0.60) ALDH1A1APEX1HTTTP53KMT2A
SCHEMBL26639282 0.81 ALDH1A1 (0.71) ALDH1A1APEX1HTTTP53PARP1
SCHEMBL7540548 0.80 MRGPRX4 (0.59) ALDH1A1HTTTP53KMT2AMRGPRX4
SCHEMBL12149838 0.80 ALDH1A1 (0.57) ALDH1A1APEX1HTTTP53PARP1
SCHEMBL12301136 0.80 L3MBTL1 (0.51) ALDH1A1MRGPRX4NPC1
SCHEMBL5839687 0.79 ALDH1A1 (0.50) ALDH1A1APEX1HTTTP53AKR1C1
SCHEMBL5839101 0.79 ALDH1A1 (0.59) ALDH1A1APEX1HTTPARP1KMT2A

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-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-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 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 831/4885APEX1 3835/4885HTT 3266/4885

“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.