SCHEMBL5507667

SCHEMBL5507667

O=C(/C=C/c1ccccc1)Oc1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
KMT2A Q03164 9/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 2/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.47
TNKS O95271 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL5169415 1.00 ESR1 (0.58) ESR1ESR2KMT2ALMNAMEN1
SCHEMBL16628762 0.87 TUBB4A (0.59) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL16628763 0.87 TUBB4A (0.59) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL16628765 0.87 KMT2A (0.60) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL6207259 0.83 KDM4E (0.53) ESR1ESR2KMT2ALMNAMEN1
SCHEMBL16628764 0.81 KMT2A (0.57) KMT2ALMNAMEN1L3MBTL1ALDH1A1
SCHEMBL19642788 0.80 KMT2A (0.52) ESR1ESR2KMT2ALMNAMEN1
SCHEMBL28994291 0.80 ESR1 (0.75) ESR1ESR2KMT2ALMNAMEN1
SCHEMBL19642789 0.79 KMT2A (0.51) ESR1ESR2KMT2ALMNAMEN1
SCHEMBL19656160 0.79 KMT2A (0.51) ESR1ESR2KMT2ALMNAMEN1

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-8821908-B2 Mold-resistant construction materials HENKEL AG & CO. KGAA (DE) 2014-09-02 US disclosed
US-20070224250-A1 MOLD-RESISTANT CONSTRUCTION MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-09-27 US disclosed
US-20070155835-A1 USE OF ORTHO-PHENYLPHENOL AND/OR DERIVATIVES THEREOF FOR INHIBITING THE ASEXUAL REPRODUCTION OF FUNGI HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-07-05 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-20070224250-A1 MOLD-RESISTANT CONSTRUCTION MATERIALS ERG28, DCXR, MGAM ESR1 4656/4885ESR2 4726/4885KMT2A 2453/4885
US-20070155835-A1 USE OF ORTHO-PHENYLPHENOL AND/OR DERIVATIVES THEREOF FOR INHIBITING THE ASEXUAL REPRODUCTION OF FUNGI TYR, HPD, ERG28 ESR1 107/4885ESR2 1183/4885KMT2A 1735/4885

“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.