SCHEMBL11954841

SCHEMBL11954841

CC1=C(c2ccc(C)cc2)[C@H](c2ccccc2)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAOB P27338 4/20 0.38
RAB9A P51151 3/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL11894735 0.91 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1CA2
SCHEMBL11895442 0.91 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1CA2
SCHEMBL11895545 0.84 MAPT (0.44) ALDH1A1LMNASMN1; SMN2MAOBRAB9A
SCHEMBL11894720 0.84 MAPT (0.44) ALDH1A1LMNASMN1; SMN2MAOBRAB9A
SCHEMBL11954845 0.83 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1CA2SMN1; SMN2
SCHEMBL16638536 0.75 TSHR (0.38) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7738890 0.74 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1CA2
SCHEMBL11973933 0.74 HPGD (0.33) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL11895543 0.72 NR3C1 (0.47) ALDH1A1KDM4EHPGDMAPTTNKS2
SCHEMBL11894719 0.72 NR3C1 (0.47) ALDH1A1KDM4EHPGDMAPTTNKS2

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 6 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
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
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

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 2903/4885LMNA 4657/4885KMT2A 1707/4885

“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.