SCHEMBL16209362

SCHEMBL16209362

COc1ccc2c(c1OC)C(=O)O[C@H]2CO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.73
▸ HPGD P15428 3/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ ALDH1A1 P00352 6/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ MAPT P10636 7/20 0.60
▸ GAA P10253 2/20 0.60
▸ TSHR P16473 1/20 0.60
▸ ALPL P05186 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ ALPG P10696 1/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ PLAA Q9Y263 1/20 0.60
▸ HSD17B10 Q99714 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 2/20 0.45

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
SCHEMBL14970288 1.00 KDM4E (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16218985 0.85 KDM4E (0.54) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7830543 0.85 KDM4E (1.00) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14965967 0.82 HPGD (0.51) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL14970282 0.82 HPGD (0.51) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL15503700 0.78 ALDH1A1 (0.81) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20816064 0.77 ALDH1A1 (0.80) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22703276 0.77 KDM4E (0.65) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7825295 0.77 KDM4E (0.65) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16218986 0.75 KDM4E (0.44) KDM4EHPGDSMN1; SMN2ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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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