SCHEMBL6580824

SCHEMBL6580824

NC1(C(=O)O)OC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
KDM1A O60341 7/20 0.35
MAOA P21397 6/20 0.35
MAOB P27338 6/20 0.35
EDNRA P25101 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL5860484 0.72 KMT2A (0.40) EPHX1KDM1AMAOAMAOBPOLB
SCHEMBL5862723 0.72 KMT2A (0.40) EPHX1KDM1AMAOAMAOBPOLB
SCHEMBL329169 0.72 KMT2A (0.40) EPHX1KDM1AMAOAMAOBPOLB
SCHEMBL6926219 0.71 PDE1C (0.47) POLB
SCHEMBL6926221 0.71 PDE1C (0.47) POLB
SCHEMBL9257647 0.71 PTGS2 (0.38) EPHX1EDNRAKMT2ANPSR1L3MBTL1
SCHEMBL8108217 0.71 PTGS2 (0.38) EPHX1EDNRAKMT2ANPSR1L3MBTL1
SCHEMBL8993499 0.71 PTGS2 (0.38) EPHX1EDNRAKMT2ANPSR1L3MBTL1
SCHEMBL273608 0.68 TSHR (0.39) KDM1AMAOAMAOBPOLBKMT2A
SCHEMBL8876521 0.68 TSHR (0.39) KDM1AMAOAMAOBPOLBKMT2A

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
EP-1412319-A1 CHIRAL RESOLUTION METHOD FOR PRODUCING COMPOUNDS USEFUL IN THE SYNTHESIS OF TAXANES NAPRO BIOTHERAPEUTICS, INC. (US) 2004-04-28 EP disclosed
US-6653501-B2 Using chromatographic process for separating a target chiral compound from its enantiomer in a racemic mixtures; purification NAPRO BIOTHERAPEUTICS, INC. 2003-11-25 US disclosed
US-20030045743-A1 Chiral resolution method for producing compounds useful in the synthesis of taxanes MAYNE PHARMA (USA), INC. 2003-03-06 US disclosed
WO-2003002509-A1 CHIRAL RESOLUTION METHOD FOR PRODUCING COMPOUNDS USEFUL IN THE SYNTHESIS OF TAXANES NAPRO BIOTHERAPEUTICS, INC. (US) 2003-01-09 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 (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-20030045743-A1 Chiral resolution method for producing compounds useful in the synthesis of taxanes CCNK, OPRK1, SYMPK EPHX1 1034/4885KDM1A 4756/4885MAOA 3720/4885

“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.