SCHEMBL14970291

SCHEMBL14970291

COc1cc(OC)c2c(c1)[C@@H]([C@H](C)O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ABCB1 P08183 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38

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
SCHEMBL17182752 1.00 SLC2A1 (0.46) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16218990 0.86 SLC2A1 (0.35) SLC2A1ALDH1A1MEN1KMT2AABCB1
SCHEMBL16222085 0.83 ALDH1A1 (0.44) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16209717 0.81 ALDH1A1 (0.44) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14965696 0.81 ALDH1A1 (0.44) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2186672 0.77 MEN1 (0.49) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16794626 0.76 KDM4E (0.59) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11398528 0.76 ACHE (0.45) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16209391 0.75 SLC2A1 (0.48) SLC2A1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14970273 0.75 SLC2A1 (0.48) SLC2A1ALDH1A1MEN1KMT2ACYP3A4

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 7 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-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-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
WO-2013072830-A1 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 — — WO 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 3549/4885ALDH1A1 406/4885MEN1 2261/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 SLC2A1 3549/4885ALDH1A1 406/4885MEN1 2261/4885

“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.

Send feedback