SCHEMBL6793463

SCHEMBL6793463

COc1cc(C(C)(C)C)ccc1/C=C/C=C/C(=O)N1CCN(C(=O)/C=C/C=C/c2ccc(C(C)(C)C)cc2OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL6790781 0.96 HPGD (0.51) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL5572648 0.91 TDP1 (0.44) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL5572652 0.91 TDP1 (0.44) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL7261682 0.90 TDP1 (0.43) HPGDL3MBTL1TDP1
Hydrochloric Acid SCHEMBL7261675 0.90 TDP1 (0.43) HPGDL3MBTL1TDP1
SCHEMBL4641354 0.83 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL5573145 0.83 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL6786072 0.82 OPRK1 (0.38) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
Hydrochloric Acid SCHEMBL6788938 0.82 OPRK1 (0.38) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL6785525 0.80 MAPT (0.60) HPGDALDH1A1SMN1; SMN2KMT2ANPC1

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-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP 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-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 HPGD 884/4885ALDH1A1 836/4885SMN1; SMN2 4780/4885

“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.