SCHEMBL555036

SCHEMBL555036

O=C(O)[C@@H](O)CNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
DNM1 Q05193 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPRA P18433 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL412018 1.00 MAPT (0.50) MAPTSMN1; SMN2HTTDNM1LMNA
SCHEMBL239274 1.00 MAPT (0.50) MAPTSMN1; SMN2HTTDNM1LMNA
Hydrochloric Acid SCHEMBL1140275 0.98 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1LMNA
Hydrochloric Acid SCHEMBL6422363 0.98 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1LMNA
Phosphoric Acid SCHEMBL8362755 0.85 MAPT (0.43) MAPTSMN1; SMN2HTTDNM1LMNA
SCHEMBL5514976 0.83 MAPT (0.48) MAPTSMN1; SMN2HTTDNM1LMNA
SCHEMBL12227832 0.82 FDPS (0.54) SMN1; SMN2HTTLMNAKDM4EPTPRA
SCHEMBL14157786 0.82 MAPT (0.44) MAPTHTTLMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL4829746 0.81 MAPT (0.42) MAPTHTTLMNAKDM4EMEN1
SCHEMBL6086624 0.81 MAPT (0.57) MAPTSMN1; SMN2HTTDNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633326-B2 Method for preparing taxane derivatives SAMYANG BIOPHARMACEUTICALS CORPORATION (KR) 2014-01-21 US claimed
US-20120035379-A1 METHOD FOR PREPARING TAXANE DERIVATIVES SAMYANG GENEX CORPORATION (KR) 2012-02-09 US claimed
WO-2010123186-A1 METHOD FOR PREPARING TAXANE DERIVATIVES SAMYANG GENEX CORPORATION (KR) 2010-10-28 WO claimed
US-20170342451-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-11-30 US disclosed
US-9732365-B2 Biosynthesis of paclitaxel intermediate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-08-15 US disclosed
US-20150284751-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-10-08 US disclosed
US-8633326-B2 Method for preparing taxane derivatives SAMYANG BIOPHARMACEUTICALS CORPORATION (KR) 2014-01-21 US disclosed
US-20120035379-A1 METHOD FOR PREPARING TAXANE DERIVATIVES SAMYANG GENEX CORPORATION (KR) 2012-02-09 US disclosed
WO-2010123186-A1 METHOD FOR PREPARING TAXANE DERIVATIVES SAMYANG GENEX CORPORATION (KR) 2010-10-28 WO disclosed
EP-1463699-A2 PROCESS FOR THE PRODUCTION OF 3-PHENYLISOSERINE ALTANA Pharma AG (DE) 2004-10-06 EP disclosed
WO-2003003804-A3 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-PHENYLISOSERINE ALTANA PHARMA AG (DE) 2004-07-01 WO disclosed
WO-2003003804-A2 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-PHENYLISOSERINE ALTANA PHARMA AG (DE) 2003-01-16 WO disclosed
US-5470866-A Method for the conversion of cephalomannine to taxol and for the preparation of n-acyl analogs of taxol VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY (US) 1995-11-28 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 (1 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-20120035379-A1 METHOD FOR PREPARING TAXANE DERIVATIVES PTMA, TNPO3, ACR MAPT 737/4885SMN1; SMN2 2678/4885HTT 2862/4885

“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.