SCHEMBL19532007

SCHEMBL19532007

C=C(C)C(=O)OCCOCCOc1cc([N+](=O)[O-])c(COC2CCCCO2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CHEK1 O14757 1/20 0.35
CYP2C19 P33261 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 3/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL19532014 0.87 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMAPK1CHEK1
SCHEMBL19532011 0.82 ALDH1A1 (0.38) ALDH1A1MAPTCHEK1CYP2C19MEN1
SCHEMBL19532005 0.82 CHEK1 (0.38) ALDH1A1CHEK1CYP2C19MEN1HTT
SCHEMBL1378838 0.80 NPC1 (0.44) ALDH1A1LMNAMAPTMAPK1CYP2C19
SCHEMBL19532010 0.78 CHEK1 (0.30) CHEK1
SCHEMBL1376483 0.78 MTNR1A (0.43) ALDH1A1LMNAMAPTMAPK1CYP2C19
SCHEMBL3873539 0.76 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMAPK1CYP2C19
SCHEMBL19532013 0.74 ALDH1A1 (0.32) ALDH1A1CHEK1CYP2C19MEN1HTT
SCHEMBL22359916 0.74 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1CYP2C19
SCHEMBL23805497 0.74

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 306/4885LMNA 2668/4885MAPT 4704/4885

“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.