SCHEMBL16218990

SCHEMBL16218990

COc1cc(C)cc2c1C(=O)O[C@@H]2[C@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLL Q9UGP5 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ LPAR1 Q92633 4/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL14970291 0.86 SLC2A1 (0.46) SLC2A1ABCB1ABCG2KDM4EHPGD
SCHEMBL17182752 0.86 SLC2A1 (0.46) SLC2A1ABCB1ABCG2KDM4EHPGD
SCHEMBL18264407 0.83 CNR2 (0.38) ABCB1ABCG2CNR2KDM4EHPGD
SCHEMBL16218982 0.82 CNR2 (0.38) CNR2KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL18356003 0.76 KDM4E (0.44) ABCB1ABCG2KLK7KLK5CNR2
SCHEMBL16218988 0.75 KDM4E (0.42) SLC2A1KLK7KLK5CNR2KDM4E
SCHEMBL16209717 0.70 ALDH1A1 (0.44) SLC2A1ABCB1ABCG2KDM4EHPGD
SCHEMBL14965696 0.70 ALDH1A1 (0.44) SLC2A1ABCB1ABCG2KDM4EHPGD
SCHEMBL16222085 0.69 ALDH1A1 (0.44) SLC2A1ABCG2CNR2KDM4EHPGD
SCHEMBL16209393 0.65 KDM4E (0.44) KDM4EHPGDALDH1A1SMN1; SMN2MEN1

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 SLC2A1 3549/4885ABCB1 3883/4885ABCG2 2775/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 SLC2A1 3549/4885ABCB1 3883/4885ABCG2 2775/4885

“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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