SCHEMBL16210207

SCHEMBL16210207

CCC(O)(C(=O)O)[C@@H]1OC(=O)c2c1cc(OC)c(OC)c2OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
ALOX12 P18054 1/20 0.38
PLAA Q9Y263 1/20 0.38
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
XDH P47989 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL16210208 1.00 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16210210 1.00 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209978 0.86 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209979 0.86 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209975 0.86 KDM4E (0.58) KDM4EHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16209402 0.83 ALDH1A1 (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16209403 0.83 ALDH1A1 (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16209401 0.83 ALDH1A1 (0.37) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16209367 0.81 ATM (0.39) KDM4ELMNA
SCHEMBL16209368 0.81 ATM (0.39) KDM4ELMNA

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.