SCHEMBL25827883

SCHEMBL25827883

COc1ccoc1CCCCCOS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KCNA3 P22001 4/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23948510 0.75 TNKS2 (0.37) ALDH1A1LMNAKDM4EMEN1HPGD
SCHEMBL23948511 0.75 CHRM2 (0.38) KDM4ETSHR
SCHEMBL23948513 0.75 MEN1 (0.33) ALDH1A1LMNATSHRMEN1HPGD
SCHEMBL20570855 0.72 RXFP1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL23948590 0.72 TAAR1 (0.39) ALDH1A1LMNAKDM4ETSHRMEN1
Acetic Acid SCHEMBL23925788 0.71 ACHE (0.36) TSHRKCNA3
SCHEMBL4860328 0.71 CA2 (0.51) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL20570535 0.71 HPGD (0.46) ALDH1A1LMNATSHRHPGDKMT2A
SCHEMBL9701570 0.70 TDP1 (0.54) ALDH1A1LMNAKDM4EUSP2MMP9
SCHEMBL985442 0.69 KDM4E (0.38) ALDH1A1LMNAKDM4EUSP2MMP9

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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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 (2 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS ALDH1A1 74/4885LMNA 2896/4885KDM4E 1011/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS ALDH1A1 74/4885LMNA 2896/4885KDM4E 1011/4885

“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.