SCHEMBL5608400

SCHEMBL5608400

COc1cc(OC)cc(N(C)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.46
MTNR1B P49286 7/20 0.46
CSF1R P07333 2/20 0.46
CA4 P22748 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP4B1 P13584 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42

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
SCHEMBL1134087 0.86 MTNR1A (0.60) MTNR1AMTNR1BCSF1RCA4
SCHEMBL9479727 0.83 CA4 (0.56) CSF1RCA4EGFRPDGFRBKDR
SCHEMBL5277509 0.83 CA4 (0.56) CSF1RCA4EGFRPDGFRBKDR
SCHEMBL12964972 0.81 TSHR (0.49) MTNR1AMTNR1BCA4ALDH1A1TSHR
SCHEMBL23618146 0.81 ABL1 (0.53) MTNR1AMTNR1BCSF1RCYP1A1CYP1A2
SCHEMBL12047760 0.80 MTNR1A (0.58) MTNR1AMTNR1BCSF1RCA4
SCHEMBL12258324 0.79 CHKA (0.47) ALDH1A1MEN1KMT2AMAPK1EGFR
SCHEMBL30054343 0.78 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL1134082 0.78 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL13241204 0.78 EGFR (0.50) CSF1RCA4ALDH1A1EGFRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210205800-A1 YLIDE-FUNCTIONALISED PHOSPHANES FOR USE IN METAL COMPLEXES AND HOMOGENEOUS CATALYSIS UMICORE AG & CO. KG (DE) 2021-07-08 US disclosed
US-10940470-B2 Ylide-functionalised phosphanes for use in metal complexes and homogeneous catalysis UMICORE AG & CO. KG (DE) 2021-03-09 US disclosed
US-20200164354-A1 YLIDE-FUNCTIONALISED PHOSPHANES FOR USE IN METAL COMPLEXES AND HOMOGENEOUS CATALYSIS UMICORE AG & CO. KG (DE) 2020-05-28 US disclosed
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
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
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP 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 MTNR1A 4404/4885MTNR1B 2975/4885CSF1R 2641/4885

“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.