SCHEMBL14970274

SCHEMBL14970274

CCOC(=O)[C@@H](O)[C@@H]1OC(=O)c2c1ccc(OC)c2OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.56
▸ HPGD P15428 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ PLAA Q9Y263 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.42

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
SCHEMBL16209378 1.00 KDM4E (0.56) KDM4EHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL16218981 0.89 KDM4E (0.43) KDM4EHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL16209393 0.87 KDM4E (0.44) KDM4EHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL14965915 0.87 KDM4E (0.44) KDM4EHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL16218983 0.82 KDM4E (0.39) KDM4EHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL16218982 0.81 CNR2 (0.38) KDM4EHPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL14965696 0.80 ALDH1A1 (0.44) KDM4EHPGDALDH1A1KMT2ATSHR
SCHEMBL16209717 0.80 ALDH1A1 (0.44) KDM4EHPGDALDH1A1KMT2ATSHR
SCHEMBL14965971 0.78 CYP3A4 (0.41) KDM4EALDH1A1KMT2APOLBHSD17B10
SCHEMBL16209422 0.78 CYP3A4 (0.41) KDM4EALDH1A1KMT2APOLBHSD17B10

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 21 patents — showing the first 20. 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-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 — — US claimed
US-20200239460-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2020-07-30 — — US disclosed
US-10450308-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2019-10-22 — — US disclosed
EP-3173411-B1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2018-05-09 — — EP disclosed
US-20170183337-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2017-06-29 — — US disclosed
EP-3173411-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF Purdue Pharma L.P. (US) 2017-05-31 — — EP disclosed
US-9630959-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2017-04-25 — — US disclosed
EP-2723732-B1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA LP (US) 2017-01-18 — — EP 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-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-9273043-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-03-01 — — 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-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
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
US-20140329829-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 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 (6 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-20200239460-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV3 KDM4E 3574/4885HPGD 561/4885SMN1; SMN2 3528/4885
US-20170183337-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV3 KDM4E 3574/4885HPGD 561/4885SMN1; SMN2 3528/4885
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
US-20140329829-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV3 KDM4E 3574/4885HPGD 561/4885SMN1; SMN2 3528/4885
US-10450308-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV3 KDM4E 3574/4885HPGD 561/4885SMN1; SMN2 3528/4885

“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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