SCHEMBL16218980

SCHEMBL16218980

CCOC(=O)[C@@H](O)[C@@H]1OC(=O)c2ccc(C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 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
SCHEMBL14966371 0.87 POLB (0.39) KDM4EPOLBALDH1A1HSD17B10CYP1A2
SCHEMBL14966369 0.87 POLB (0.39) KDM4EPOLBALDH1A1HSD17B10CYP1A2
SCHEMBL14966093 0.86 CYP1A1 (0.48) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL16218979 0.85 AR (0.41) KDM4EPOLBALDH1A1HSD17B10CYP1A2
SCHEMBL14966326 0.85 POLB (0.51) KDM4EPOLBALDH1A1HSD17B10CYP1A2
SCHEMBL16209980 0.83 MAPT (0.44) KDM4EALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL14965971 0.82 CYP3A4 (0.41) KDM4EPOLBALDH1A1HSD17B10CYP2C19
SCHEMBL16209422 0.82 CYP3A4 (0.41) KDM4EPOLBALDH1A1HSD17B10CYP2C19
SCHEMBL14970289 0.80 CYP2D6 (0.41) KDM4EPOLBALDH1A1HSD17B10CYP1A2
SCHEMBL14970264 0.74 CYP3A4 (0.43) POLBCYP2C19KMT2A

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 805/4885POLB 1422/4885ALDH1A1 406/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 KDM4E 805/4885POLB 1422/4885ALDH1A1 406/4885

“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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