SCHEMBL19532011

SCHEMBL19532011

COc1cc(COC2CCCCO2)c([N+](=O)[O-])cc1OCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHEK1 O14757 1/20 0.36
CYP2D6 P10635 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL19532005 0.87 CHEK1 (0.38) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL19532014 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL19532013 0.84 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL19532007 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL6326183 0.78 RAB9A (0.50) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL26365149 0.78 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL329986 0.77 RAB9A (0.47) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL2494488 0.76 CHEK1 (0.40) ALDH1A1SMN1; SMN2KDM4EHTTMEN1
SCHEMBL19532010 0.75 CHEK1 (0.30) CHEK1
SCHEMBL6858339 0.75 CTSD (0.46) ALDH1A1SMN1; SMN2KDM4EHTTMEN1

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-20170313827-A1 PREPARATION METHOD, PRODUCT AND APPLICATION OF NON-FREE RADICAL PHOTO-CROSSLINKED HYDROGEL MATERIAL ZHONGSHAN GUANGHE MEDICAL TECHNOLOGY CO., LTD (CN) 2017-11-02 US disclosed
US-20170313827-A1 PREPARATION METHOD, PRODUCT AND APPLICATION OF NON-FREE RADICAL PHOTO-CROSSLINKED HYDROGEL MATERIAL ZHONGSHAN GUANGHE MEDICAL TECHNOLOGY CO., LTD (CN) 2017-11-02 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-20170313827-A1 PREPARATION METHOD, PRODUCT AND APPLICATION OF NON-FREE RADICAL PHOTO-CROSSLINKED HYDROGEL MATERIAL CUTA, PPOX, KIT ALDH1A1 306/4885SMN1; SMN2 4785/4885KDM4E 592/4885

“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.