SCHEMBL4132243

SCHEMBL4132243

O=C1CC(c2ccccc2)N1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.49
BRD4 O60885 3/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL28413243 0.80 L3MBTL1 (0.49) RIPK1KMT2ATSHRMEN1POLB
SCHEMBL9877745 0.76 KMT2A (0.46) RIPK1BRD4KMT2ATSHRMEN1
SCHEMBL22929174 0.75 RIPK1 (0.45) RIPK1BRD4KMT2ATSHRMEN1
SCHEMBL11133372 0.75 RIPK1 (0.45) RIPK1BRD4KMT2ATSHRALDH1A1
SCHEMBL11133370 0.75 RIPK1 (0.45) RIPK1BRD4KMT2ATSHRALDH1A1
SCHEMBL12620555 0.75 RIPK1 (0.56) RIPK1BRD4KMT2ATSHRMEN1
SCHEMBL523273 0.73 ESR1 (0.62) RIPK1BRD4KMT2ATSHRMEN1
SCHEMBL1801255 0.73 L3MBTL1 (0.57) RIPK1KMT2AMEN1ALDH1A1
SCHEMBL9328944 0.73 EPHX2 (0.44) GAA
SCHEMBL9328830 0.73 EPHX2 (0.44) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550608-B2 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-23 US disclosed
US-7358378-B2 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-04-15 US disclosed
EP-1893594-A2 PROCESSES FOR THE PREPARATION OF PACLITAXEL Florida State University Research Foundation, Inc. (US) 2008-03-05 EP disclosed
EP-1891033-A2 PROCESSES FOR THE PREPARATION OF DOCETAXEL Florida State University Research Foundation, Inc. (US) 2008-02-27 EP disclosed
WO-2006135692-A2 PROCESSES FOR THE PREPARATION OF DOCETAXEL FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
WO-2006135656-A2 PROCESSES FOR THE PREPARATION OF PACLITAXEL FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
US-20060281933-A1 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 US disclosed
US-20060281932-A1 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 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-20060281933-A1 Processes for the preparation of paclitaxel PDCD10, PDS5B, CASP10 RIPK1 4436/4885BRD4 2544/4885KMT2A 3213/4885
US-20060281932-A1 Processes for the preparation of docetaxel PDCD10, PDS5B, DHCR7 RIPK1 4256/4885BRD4 2584/4885KMT2A 3310/4885

“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.