SCHEMBL11954846

SCHEMBL11954846

CC1=C(Cl)C(c2ccccc2)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KMT2A Q03164 6/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL11954840 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL27778154 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL7738890 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL1057155 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL24624826 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL27729379 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL7564290 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL7564280 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL11895442 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDHTTCA2
SCHEMBL11894735 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDHTTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492274-B1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE AND USE THEREOF UNIV ZHEJIANG (CN) 2016-09-21 EP disclosed
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
CN-101693723-B 3-tri-alkoxy phenyl dialkyl phosphine tetrafluoroborate and synthesis and application thereof UNIV ZHEJIANG 2012-09-05 CN disclosed
EP-2492274-A1 2,4,6- OR 2,6-ALKOXYPHENYL DIALKYLPHOSPHINE, TETRAFLUOROBORATE, PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2012-08-29 EP disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 US disclosed
CN-101693723-A 3-tri-alkoxy phenyl dialkyl phosphine tetrafluoroborate and synthesis and application thereof UNIV ZHEJIANG 2010-04-14 CN 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 ALDH1A1 2903/4885KMT2A 1707/4885HPGD 4709/4885

“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.