SCHEMBL16218981

SCHEMBL16218981

CCOC(=O)[C@@H](O)[C@@H]1OC(=O)c2c1ccc(C)c2OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ PLAA Q9Y263 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL16209378 0.89 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14970274 0.89 KDM4E (0.56) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16218983 0.85 KDM4E (0.39) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209393 0.83 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14965915 0.83 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14970283 0.78 ALDH1A1 (0.46) KDM4EHPGDALDH1A1MAPTKMT2A
SCHEMBL16218982 0.77 CNR2 (0.38) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL14965696 0.76 ALDH1A1 (0.44) KDM4EHPGDALDH1A1KMT2ATSHR
SCHEMBL16209717 0.76 ALDH1A1 (0.44) KDM4EHPGDALDH1A1KMT2ATSHR
SCHEMBL12987785 0.74 ALDH1A1 (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT

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 KDM4E 805/4885HPGD 2135/4885SMN1; SMN2 3151/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 KDM4E 805/4885HPGD 2135/4885SMN1; SMN2 3151/4885

“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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