SCHEMBL6785345

SCHEMBL6785345

CC(C)(C)c1ccc(/C=C/C=C/C(=O)N2CCCN(C(=O)/C=C/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
MAPT P10636 3/20 0.72
HPGD P15428 4/20 0.61
LMNA P02545 3/20 0.60
GAA P10253 1/20 0.60
ALOX5 P09917 3/20 0.54
MAOB P27338 2/20 0.54
GPR183 P32249 3/20 0.54
CYP1A2 P05177 2/20 0.54
TP53 P04637 2/20 0.54
HTT P42858 1/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL6787409 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5570675 0.85 GPR183 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5569629 0.85 GPR183 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5570669 0.84 GPR183 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5570664 0.84 GPR183 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7679652 0.81 GAA (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6786005 0.81 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6785637 0.81 MEN1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6792237 0.81 GPR183 (0.64) ALDH1A1NPC1RAB9AMAPTALOX5
SCHEMBL6790781 0.79 HPGD (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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 ALDH1A1 836/4885SMN1; SMN2 4780/4885MEN1 3292/4885

“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.