SCHEMBL16209367

SCHEMBL16209367

CCC(O)(C(=O)O)[C@@H]1OC(=O)c2cc(OC)c(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 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
SCHEMBL16209370 1.00 ATM (0.39) ATMKDM4ELMNAAPEX1
SCHEMBL16209368 1.00 ATM (0.39) ATMKDM4ELMNAAPEX1
SCHEMBL16209919 0.89 NPC1 (0.44) KDM4ELMNA
SCHEMBL16209917 0.89 NPC1 (0.44) KDM4ELMNA
SCHEMBL16210023 0.82 ATM (0.48) ATMLMNA
SCHEMBL16210025 0.82 ATM (0.48) ATMLMNA
SCHEMBL16210208 0.81 KDM4E (0.44) KDM4ELMNA
SCHEMBL16210207 0.81 KDM4E (0.44) KDM4ELMNA
SCHEMBL16210210 0.81 KDM4E (0.44) KDM4ELMNA
SCHEMBL17182755 0.80 APEX1 (0.38) ATMAPEX1

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 ATM 4248/4885KDM4E 805/4885LMNA 2962/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 ATM 4248/4885KDM4E 805/4885LMNA 2962/4885

“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.