SCHEMBL5936331

SCHEMBL5936331

C=CCC1CC(CCCCC)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 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
SCHEMBL3658589 0.88 ALDH1A1 (0.49) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3660316 0.87 ALDH1A1 (0.51) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3657694 0.84 HTT (0.59) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3658650 0.82 HTT (0.62) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9450633 0.82 HTT (0.58) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL10543134 0.82 HTT (0.58) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9450606 0.81 HTT (0.60) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3660873 0.81 CYP1A2 (0.49) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9450640 0.80 PRSS1 (0.39) HTTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL9450639 0.80 PRSS1 (0.39) HTTSMN1; SMN2ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030719-A1 Cis-3,5-disubstituted-dihydro-furan-2-ones and the preparation and use thereof E. I. DU PONT DE NEMOURS AND COMPANY 2006-02-09 US disclosed
WO-2005014565-A2 CIS-3,5-DISUBSTITUTED-DIHYDRO-FURAN-2-ONES AND THE PREPARATION AND USE THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-02-17 WO 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-20060030719-A1 Cis-3,5-disubstituted-dihydro-furan-2-ones and the preparation and use thereof CBR3, CYP4F3, DHODH HTT 2684/4885SMN1; SMN2 3390/4885ALDH1A1 834/4885

“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.