SCHEMBL6281474

SCHEMBL6281474

CC1(C)CC(=O)c2cc(Br)c(O)cc2O1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
KDM4E B2RXH2 8/20 0.59
MAPT P10636 1/20 0.59
CYP1A1 P04798 1/20 0.52
MAOB P27338 6/20 0.45
GAA P10253 7/20 0.45
HPGD P15428 5/20 0.45
GLA P06280 4/20 0.45
CASP1 P29466 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PDE4B Q07343 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
SCHEMBL10403858 0.87 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTCYP1A1MAOB
SCHEMBL9093546 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTCYP1A1MAOB
SCHEMBL3262766 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL6279249 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL16334610 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTCYP1A1MAOB
SCHEMBL31393622 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTCYP1A1MAOB
SCHEMBL16335258 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTCYP1A1MAOB
SCHEMBL10401817 0.76 KDM4E (0.56) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL3955507 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL6275678 0.76 MAOB (0.49) ALDH1A1KDM4EMAPTMAOBGAA

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
CN-117897386-A Benzopyran derivatives and uses thereof 斯帕克生物制药有限公司 2024-04-16 CN disclosed
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 US disclosed
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 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-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 ALDH1A1 529/4885KDM4E 2703/4885MAPT 3835/4885

“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.