SCHEMBL16218982

SCHEMBL16218982

CCOC(=O)[C@@H](O)[C@@H]1OC(=O)c2c(OC)cc(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ CTSA P10619 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34

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
SCHEMBL16209717 0.89 ALDH1A1 (0.44) KDM4EHPGDALDH1A1CYP3A4MAPK1
SCHEMBL14965696 0.89 ALDH1A1 (0.44) KDM4EHPGDALDH1A1CYP3A4MAPK1
SCHEMBL14965915 0.84 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16209393 0.84 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16218990 0.82 SLC2A1 (0.35) CNR2KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL14970274 0.81 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL16209378 0.81 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL14965971 0.80 CYP3A4 (0.41) KDM4EALDH1A1CYP3A4CYP2C19CYP2D6
SCHEMBL16209422 0.80 CYP3A4 (0.41) KDM4EALDH1A1CYP3A4CYP2C19CYP2D6
SCHEMBL16218983 0.80 KDM4E (0.39) KDM4EHPGDSMN1; SMN2ALDH1A1CYP3A4

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
US-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 — — US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 — — US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 — — US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 — — 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-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 CNR2 3360/4885KDM4E 805/4885HPGD 2135/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 CNR2 3360/4885KDM4E 805/4885HPGD 2135/4885

“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.

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