SCHEMBL7052246

SCHEMBL7052246

C/C=C\c1cccc(C(=O)CC)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.47
HSP90AB1 P08238 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
BACE1 P56817 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX5 P09917 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL7052252 1.00 IAPP (0.47) IAPPHSP90AB1L3MBTL1MAPTSMN1; SMN2
Cuminaldehyde SCHEMBL10805364 0.83 TYR (0.44) IAPPHSP90AB1MAPTSMN1; SMN2ALDH1A1
SCHEMBL21912600 0.83 ERN1 (0.50) IAPPHSP90AB1ALDH1A1HPGDHTT
SCHEMBL21362675 0.83 AKR1C3 (0.44) IAPPL3MBTL1MAPTALDH1A1HPGD
SCHEMBL6440974 0.82 TAS1R3 (0.38) IAPPHSP90AB1L3MBTL1MAPTSMN1; SMN2
SCHEMBL11130587 0.81 ALDH1A1 (0.53) IAPPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL11130591 0.81 ALDH1A1 (0.53) IAPPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL1320673 0.81 IAPP (0.47) IAPPL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1320671 0.81 IAPP (0.47) IAPPL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8676074 0.81 IAPP (0.47) IAPPL3MBTL1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100250-B1 METHYLFLAVONE DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-03-04 EP claimed
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
US-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-05 US disclosed
WO-2002060534-A2 SELECTIVE ALPHA 1 ANTAGONISTS A + D RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2002-08-08 WO disclosed
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
EP-0100250-B1 METHYLFLAVONE DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-03-04 EP disclosed
US-4594345-A Containing a 2-phenyl substituted chroman-4-one ring NIPPON SHINYAKU CO. LTD. (JP) 1986-06-10 US disclosed
EP-0100250-A2 Methylflavone derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1984-02-08 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-20020183290-A1 Adrenergic receptor antagonists selective for both alpha1A-and alpha1D-subtypes and uses therefor ADRB1, ADRA1D, ADRA1B IAPP 3008/4885HSP90AB1 1049/4885L3MBTL1 1517/4885

“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.